Potassium salts of hypodiphospho­ric acid

The synthesis and crystal structures of a series of six crystalline potassium salts of hypodiphospho­ric acid, H₄P₂O₆, are reported, namely potassium hydrogen phosphono­phosphon­ate, K⁺·H₃P₂O₆⁻, (I), dipotassium dihydrogen hypodiphos­phate monohydrate, 2K⁺·H₂P₂O₆²⁻·H₂O, (II), dipotassium dihydrogen hypodiphosphate dihydrate, 2K⁺·H₂P₂O₆²⁻·2H₂O, (III), penta­potassium hydrogen hypodiphosphate dihydrogen hypodiphosphate dihydrate, 5K⁺·HP₂O₆³⁻·H₂P₂O₆²⁻·2H₂O, (IV), tripotassium hydrogen hypodiphosphate tetra­hydrate, 3K⁺·HP₂O₆³⁻·4H₂O, (V), and tetra­potassium hypodiphos­phate tetra­hydrate, 4K⁺·P₂O₆⁴⁻·4H₂O, (VI). All the hypodiphos­phate anions, viz. H₃P₂O₆⁻, H₂P₂O₆²⁻, HP₂O₆³⁻ and P₂O₆⁴⁻, adopt a staggered conformation. The P—P bond lengths [2.1722 (7)–2.1892 (10) Å] do not depend on the basicity of the anion. The compounds are organized into different types of one-, two- or three-dimensional polymeric hydrogen-bonded networks, or simply exist in the form of isolated or dimeric units. The coordination numbers of the K⁺ cations range from 6 to 9, and the cationic sublattices are polymeric one-, two- or three-dimensional networks, or isolated [KO₆] or dimeric [K₂O₁₂] polyhedra.

S1. Comment

Hypodiphosphoric acid, H₄P₂O₆, was discovered by Salzer in 19th century (Salzer, 1877). The initial synthetic method, based on the oxidation of white phosphorus by wet air, gave a low yield. After half a century the acid was obtained in sufficient quantities by the controlled oxidation of red phosphorus by a dilute aqueous solution of sodium chlorite (Speter, 1927; Probst, 1929; Vogel, 1929). The formation of H₄P₂O₆ was first studied in the middle of the last century (Miłobędzki, 1950). The first crystal structure of a salt based on hypodiphosphoric acid, (NH₄)₂(H₂P₂O₆), only appeared in 1964 (Wilson & McGeachin, 1964). Since then, structural reports of numerous derivatives of H₄P₂O₆ have become increasingly common. These include (H₃O)₂(H₂P₂O₆) (Mootz & Altenburg, 1971), Na₂(H₂P₂O₆).6H₂O (Collin & Willis, 1971), Na₃(HP₂O₆).9H₂O (Emmerson & Corbridge, 1974), Na₄(P₂O₆).10H₂O (Emmerson & Corbridge, 1973; Gjikaj et al., 2012), Rb₂[(H₂P₂O₆)(H₄P₂O₆)] and Cs₂[(H₂P₂O₆)(H₄P₂O₆)] (Wu et al., 2012), Co₂(P₂O₆).12H₂O (Hagen & Jansen, 1995), [Ni(H₂O)₆]₂(P₂O₆) (Haag et al., 2005), Ln(HP₂O₆).4H₂O (Ln = Nd, Eu, Gd, Dy, Ho, Er) (Palkina, Maksimova, Mironova et al., 1983; Palkina, Maksimova & Chibiskova, 1983; Palkina et al., 1987; Pakhomov et al., 1987), YbHP₂O₆.3H₂O (Palkina et al., 1984), and finally isomorphous K₂Na₂(P₂O₆).8H₂O and K₄(P₂O₆).8H₂O (Gjikaj et al., 2012). Most of their physical properties are completely unknown, though recently we have reported the ferroelectric properties discovered in (NH₄)₂(H₂P₂O₆) (Szklarz et al., 2011). Systematic studies of simple inorganic hypodiphosphates, with an emphasis on the influence of the basicity of the H_nP₂O₆^(4-n)- anion on its structure, and on the structures and properties of the crystals obtained, are still missing. Therefore, we have undertaken the synthesis and structural investigation of hypodiphosphate salts, both inorganic and organic. This paper concerns the syntheses and crystal structures of six potassium salts of H₄P₂O₆ acid with hypodiphosphate anions of different basicities, namely K⁺.H₃P₂O₆^-, (I), 2K⁺.H₂P₂O₆^2-.H₂O, (II), 2K⁺.H₂P₂O₆^2-.2H₂O, (III), 5K⁺.HP₂O₆^2-.H₂P₂O₆^3-.2H₂O, (IV), 3K⁺.HP₂O₆^3-.4H₂O, (V), and 4K⁺.P₂O₆^4-.4H₂O, (VI).

The crystal structures of (I)–(VI) are composed of hypodiphosphate anions, potassium cations and water molecules [except for anhydrous (I)]. The asymmetric units of (I)–(VI) consist of the independent anions and the other components (K⁺ and H₂O) in amounts relevant to their molecular formulae, except for (IV) (K:anion:H₂O = 2.5:1:1) and (V) (K:anion:H₂O = 6:2:8). Atom K3 in (IV) is located on a twofold axis. The hypodiphosphate anions in (I), (III) and (IV) lie on inversion centres, which means that there are two independent halves of H₃P₂O₆^- in (I), denoted (IA) and (IB), two halves of H₂P₂O₆^2- in (III), denoted (IIIA) and (IIIB), and one half of HP₂O₆^3- and H₂P₂O₆^2- in (IV), denoted (IVA) and (IVB), respectively.

The overall geometry of all the hypodiphosphate anions in (I)–(VI) reveals great similarities, regardless of the charge (Fig. 1). Each P atom is surrounded by three O atoms and one P atom in a deformed tetrahedral geometry. Selected geometric data are given in Tables 1, 3, 5, 7, 9 and 11. Obviously, the presence and location of any H atoms has a significant influence on the observed deformations of the PPO₃ groups. As yet, it is difficult to comment on the preferences for the mutual location of H atoms in one anion. In the two centrosymmetric H₃P₂O₆^- anions in (I), two H atoms are ordered and located on two different PO₃ groups (at atoms O3 antiperiplanar to each other) and the other H atom is found between two anions, 1.08 (2) and 1.36 (2) Å from two O2 atoms of different anions (Fig. 1a), which is the alternative to a model with atom H2 being disordered over two positions (with site-occupancy factors of 0.5 each) on two PO₃ groups. In the H₂P₂O₆^2- anions present in (II), (III) and (IV), two H atoms are located on two different PO₃ groups and their mutual orientation is related to the symmetry of the anion. In (II), with the H₂P₂O₆^2- anion lying on a general position, the value of the (H)O—P—P—O(H) torsion angle is 56.73 (4)°, which means that the H atoms are located on the synclinally oriented O atoms. In (III) and (IV), the H₂P₂O₆^2- anions lie on inversion centres, which results in (H)O—P—P—O(H) torsion angles of 180°.

All the anions adopt a staggered conformation of approximate D_3d symmetry (H atoms excluded), which is reflected in the values of the O—P—P—O torsion angles of about 60° (synclinal; gauche) and 180° (antiperiplanar) (Tables 1, 3, 5, 7, 9 and 11). The staggered conformation is the only one observed in all the crystal structures based on H₄P₂O₆ acid reported to date. The geometry of the hypodiphosphate anions reveals that the P—P distances vary between 2.1722 (7) and 2.1892 (10) Å for almost all hypodiphospate anions, as expected for P—P single bonds. However, in 4K⁺.P₂O₆^4-.8H₂O, the P—P bond is elongated to 2.204 (1) Å at 223 (2) K (Gjikaj et al., 2012) and to 2.2014 (8) Å at 100 (2) K (Szafranowska, Ślepokura & Lis, unpublished results). At present, it seems that there is no correlation between the charge of the anion and the P—P bond length.

It is evident that mono-, di- and tri-deprotonated hypodiphosphate anions, i.e. H₃P₂O₆^-, H₂P₂O₆^2- or HP₂O₆^3-, may form different types of hydrogen-bonded networks. In (I), which is the first example of a crystal structure containing hypodiphosphate monoanions, a three-dimensional hydrogen-bonded network of monoanions is observed (Fig. 2a). In this network, each H₃P₂O₆^- anion [(IA) and (IB)] engages antiperiplanarly oriented O2 atoms to form O2A—H2···O2B hydrogen bonds (Table 2), resulting in chains along the b axis. Adjacent chains are then joined through O3A—H3A···O1Bⁱ and O3B—H3B···O1Aⁱⁱ [symmetry codes: (i) -x + 3/2, y + 1/2, -z + 1/2; (ii) -x + 3/2, y - 1/2, -z + 3/2] contacts, giving rise to a three-dimensional network. The gaps formed in the anionic network are occupied by [KO₆] octhedra (Fig. 2b).

It is apparent that a reduction in the number of H atoms in the hypodiphosphate anion results in a decrease in the dimensionality of the created network. Thus, the H₂P₂O₆^2- anions in (II) form hydrogen bonds to their synclinally oriented hydroxy atoms O3 and O6, O3—H3···O5ⁱ and O6—H6···O2ⁱ [symmetry code: (i) -x + 3/2, y - 1/2, -z + 3/2], giving rise to one-dimensional zigzag ribbons running along the b axis (Fig. 3a and Table 4), while the two crystallographically independent H₂P₂O₆^2- anions in (III) form different two-dimensional layers parallel to the (100) plane (Fig. 4a and Table 6), involving their antiperiplanar hydroxy atoms O3A and O3B, in O3A—H3A···O1A^v and O3B–H3B···O2B^iv [symmetry codes: (iv) x, -y + 3/2, z - 1/2; (v) -x + 1, y - 1/2, -z + 1/2] contacts. The overall structure of the individual layers in (III) is similar, with R₄⁴(18) ring motifs (Bernstein et al., 1995) formed by four adjacent anions, as shown in Fig. 4(a). Both the adjacent ribbons in (II) and the layers in (III) are held together by water molecules (through ribbon···water···ribbon and layer···water···layer interactions), as well as by coordination forces with the K⁺ cations (Figs. 3 and 4). In (II), atoms K1 and K2 play a different role. Centrosymmetric dimers of edge-shared [KO₇] polyhedra based on K1, i.e. [K₂O₁₂] units, bind adjacent anionic ribbons, giving rise to anionic–cationic layers parallel to the (101) plane, as shown in Fig. 3(b). K2-based [KO₇] polyhedra form chains running down the b axis, which are located between the layers and provide, along with water molecules, the interlayer contacts (Fig. 3c). In (III), atoms K1 and K2 play a similar role: the [KO₈] polyhedra of both form corrugated layers parallel to the (100) plane, alternating the anionic layers, as shown in Fig. 4(b).

On the other hand, in (IV), where two different types of anions are present, i.e. H₂P₂O₆^2-, (IVA), and HP₂O₆^3-, (IVB), the anions form a common two-dimensional layer parallel to (010), via O3A—H3A···O3Aⁱⁱ and O3B—H3B···O2Aⁱ [symmetry codes: (i) -x + 1, -y + 1, -z + 1; (ii) -x + 2, y, -z + 3/2] hydrogen bonds, as shown in Fig. 5(a) and Table 8. Adjacent layers are again held together by layer···water···layer interactions, as well as by coordination forces with the K⁺ cations. Three crystallographically independent [KO₈] polyhedra are engaged in the formation of double layers, which are parallel to the (100) plane and therefore perpendicular to the anionic layers (Fig. 5b).

In the crystal structure of (V), containing HP₂O₆^3- anions, quite uncommon inter-anionic contacts are observed. Two crystallographically independent anions, (VA) and (VB), are tightly joined into dimers, as shown in Fig. 1(e), and no other inter-anionic hydrogen bonds are present. Instead, adjacent dimers interact with each other via water-mediated hydrogen-bond contacts (Fig. 6 and Table 10) and through coordination with K⁺ cations. In (VI), with P₂O₆^4- anions not having any H atoms, the isolated anions and water molecules are organized into a hydrogen-bonded three-dimensional network. Water molecules O1W, O2W and O3W join adjacent anions in the ab plane, and water molecule O4W provides contacts in the third direction, as shown in Fig. 7 (Table 12). In both (V) and (VI), where the hypodiphosphate anions form zero-dimensional units [dimers of HP₂O₆^3- in (V) or isolated P₂O₆^4- anions in (VI)], the K⁺ cations [six different ones in (V) and four in (VI)] occupy the gaps between these zero-dimensional anionic units and the water molecules, giving rise to three-dimensional networks of [KO_n] polyhedra [where n = 7, 8 and 9 in (V), and n = 7 and 8 in (VI)].

With regard to the coordination environment of K⁺ cations and hypodiphosphate anions in (I)–(IV), the characteristic features of the presented salts are a variety of coordination numbers and types of coordination polyhedra for the K⁺ cations, where the hypodiphosphate anions can form multiple bonds to the metal centres organized into one-dimensional–three-dimensional polymeric networks, as well as existing in the form of isolated or dimeric units. Thus, the minimum local coordination number (CN) (and the most rare) of a K⁺ cation is 6, observed in (I), the maximum (and quite rare) CN = 9 in (V), and the most frequently observed CN = 7 in (II), (V) and (VI), and CN = 8 in (III), (IV), (V) and (VI). The K···O and K···K closest distances in (I)–(VI) are given in Tables 1, 3, 5, 7, 9 and 11.

The smallest number of atoms coordinated to a K⁺ cation is found in (I). The geometry around the K1 centre shows a deformed octahedral shape, in which the cation is surrounded by six H₃P₂O₆^- anions coordinated in a monodentate manner, viz. three symmetry-related (IA) and three symmetry-related (IB) anions (Fig. 8 and Table 1).

Two of the six crystallographically independent K⁺ cations in (V), two of the four in (VI), and both different K⁺ cations in (II), crystallize with CN = 7 and with two, three or four hypodiphosphate anions surrounding the K⁺ cations (Fig. 9). Atoms K5 and K6 in (V) are very similar and are coordinated by two HP₂O₆^3- anions in a monodentate manner. The coordination environments are completed by five water molecules (Fig. 9a and Table 9). However, atoms K2 and K3 in (VI) are both seven-coordinated, but with two or three mono- or bidentate P₂O₆^4- anions and four water molecules each in the closest environment (Fig. 9b and Table 11). Atoms K1 and K2 in (II) have different neighbours (H₂P₂O₆^2- or H₂P₂O₆^2-/H₂O), but still form the same irregular [KO₇] coordination polyhedra. Thus, as many as three of the four hypodiphosphate anions around the `anhydrous' atom K1 bind to it in a bidentate manner. In contrast, only one dianion coordinates to the `dihydrated' atom K2 in a bidentate manner; the other three are monodentate, as shown in Fig. 9(c) (Table 3).

Two of the four crystallographically independent K⁺ cations in (VI), two of the six in (V), both in (III) and all three in (IV) have CN = 8 and two, three or four hypodiphosphate anions surrounding them (Fig. 10). Atoms K1 and K4 in (VI) are bound to two or three P₂O₆^4- anions coordinating in mono-, bi- or tridentate manners, leaving space in the coordination for three or four water molecules, as shown in Fig. 10(a) (Table 11). Again, two other K⁺ cations in (V) are very similar: eight-coordinated atoms K3 and K4 are attached to three bidentate HP₂O₆^3- anions and two water molecules (Fig. 10b and Table 9). In (III), atoms K1 and K2 have different numbers of mono- and bidentate H₂P₂O₆^2- anions in their closest environment, three for K2 and four for K1, but the same number of water molecules completing the eight-coordination (Fig. 10c and Table 5). All three K⁺ cations in (IV) are eight-coordinated and all have as many as four nearest-neighbour hypodiphosphate anions (Fig. 10d and Table 7). The closest environments of atoms K1 and K3 seem to be quite similar (two bidentate and two monodentate anions, and two water molecules), but it must be stressed that different types of anions form the coordination environments of atoms K1 and K3. Atom K1 is bound to two HP₂O₆^3- anions [(IVA)] and two H₂P₂O₆^2- anions [(IVB)], while atom K3, located on a twofold axis, is attached to four H₂P₂O₆^2- dianions [(IVB)]. The coordination environment of atom K2 is built up from two (IVA) trianions (mono- and bidentate) and two bidentate (IVB) dianions, and is completed by one water molecule.

The highest coordination number of any K⁺ cation (CN = 9) is observed in (V). Here, two of the six crystallographically independent K⁺ cations (K1 and K2) are almost identical and their nine-coordinated environments include four water molecules and four HP₂O₆^3- anions bound in both mono- and bidentate manners, as shown in Fig. 11 (Table 9).

Looking at the environment of the hypodiphosphate anions in (I)–(VI), it can be seen that the anions may be bound to a different number of K⁺ cations, in a wide range from four in 4K⁺.P₂O₆^4-.8H₂O salt (Gjikaj et al., 2012) to as many as 12 in (IVB). The individual hypodiphosphate O atoms may coordinate to one, two, three or four different K⁺ cations, as shown in Fig. 12. Interestingly, the number of K⁺ cations surrounding the anions is usually even: four (Fig. 12f), six (Fig. 12a), eight (Fig. 12b), ten (Fig. 12d) or 12 (Fig. 12e). Only in (VA) and (VB) do nine K⁺ cations coordinate to each H₂P₂O₆^2- and HP₂O₆^3- anion (Fig. 12c).

In conclusion, this paper provides the first example of systematic studies of hypodiphosphate salts containing the same cation and with the anion in all possible degrees of protonation, i.e. H₃P₂O₆^- in (I), H₂P₂O₆^2- in (II), (III) and (IV), HP₂O₆^3- in (IV) and (V), and P₂O₆^4- in (VI). It has been shown that, in all these salts, the hypodiphosphate anions adopt a staggered conformation and the P—P bond lengths do not depend on the basicity of the anion. Both the anions and cations are organized into different types of sublattices, forming one-dimensional–three-dimensional polymeric networks, or existing in the form of zero-dimensional isolated or dimeric units.

In the present series of hypodiphosphate salts, some correlation between the protonation of the anion and the anionic/cationic network organization, the CN of the K⁺ cations or the number of anions surrounding each K⁺ cation may be observed. In general, the fewer acidic H atoms there are on the hypodiphosphate anion, the lower the dimension of the resulting anionic sublattice (from three-dimensional in the monopotassium salt to isolated anions in the tetrapotassium salts) and the higher the dimension of the cationic sublattice (from isolated [KO₆] octahedra in the monopotassium salt to a three-dimensional network in the tetrapotassium salts). Also, the higher the CN of the K⁺ cations, the smaller the number of hypodiphosphate anions around each K⁺ cation (from six in KH₃P₂O₆ to one in the K₄P₂O₆.8H₂O salt; Gjikaj et al., 2012). An additional influence of the presence of water molecules in the crystal structure on the extent of the coordination of the K⁺ cations may be noticed. Notably, the number of K⁺ cations in the closest environment of a particular anion seems to be independent of its basicity (compare, for example, ten cations around each P₂O₆^4- anion in 4K⁺.P₂O₆^4-.4H₂O and four around each P₂O₆^4- in 4K⁺.P₂O₆^4-.8H₂O).

Related literature

For related literature, see: Bernstein et al. (1995); Collin & Willis (1971); Emmerson & Corbridge (1973, 1974); Gjikaj et al. (2012); Haag et al. (2005); Hagen & Jansen (1995); Leininger & Chulsky (1949); Miłobędzki (1950); Mootz & Altenburg (1971); Pakhomov et al. (1987); Palkina et al. (1984, 1987); Palkina, Maksimova & Chibiskova (1983); Palkina, Maksimova, Mironova, Chibiskova & Tananaev (1983); Probst (1929); Salzer (1877); Speter (1927); Szklarz et al. (2011); Vogel (1929); Wilson, McGeachin & McD (1964); Wu et al. (2012).

S2. Experimental

All reagents and solvents were used as obtained commercially without further purification. Dowex 50-H⁺ ion-exchange resin, 2–100 mesh (Serva), was regenerated after use by washing it with 4 M HCl and then with water until the pH was neutral. The Na₂H₂P₂O₆.6H₂O starting material was prepared by the slow addition of a dilute solution of sodium chlorite, NaClO₂, to a mixture of powdered red phosphorus and distilled water at 273 K (Leininger & Chulsky, 1949). A solution of Na₂H₂P₂O₆.6H₂O (1.5 g) in water (60 ml) was passed slowly through an ion-exchange column (Dowex 50-H⁺). The acidic eluent was evaporated to dryness under a stream of N₂ to give hygroscopic colourless large crystals of H₄P₂O₆.2H₂O, which were stored at 255 K to avoid fast decomposition [yield 0.7 g, 74.5%, based on Na₂H₂P₂O₆.6H₂O; m.p. 333–335 K (literature 335 K). Crystals of (I) were obtained after few days from a 1:1 stoichiometric mixture of H₄P₂O₆.2H₂O (0.4329 g, 2.2 mmol) and KOH (0.1225 g, 2.2 mmol) in distilled water (1 ml). Crystals of (II) were obtained after evaporation of the solvent from a 1:2 stoichiometric mixture of H₄P₂O₆.2H₂O (1.7512 g, 8.8 mmol) and KOH (0.9907 g, 17.7 mmol) in distilled water (2 ml). Concentration of a 1:4 stoichiometric mixture of H₄P₂O₆.2H₂O (0.7343 g, 3.7 mmol) and KOH (0.8134 g, 14.5 mmol) in distilled water (4 ml) gave hygroscopic crystals of (VI). Colourless crystals of (III) were obtained during an attempt to crystallize the K₃HP₂O₆ salt. Evaporation of the solvent from a 1:1 stoichiometric mixture of K₂H₂P₂O₆.H₂O (0.1932 g, 0.75 mmol), (II), and K₄P₂O₆.4H₂O (0.2918 g, 0.76 mmol), (VI), in distilled water (3 ml) gave K₂H₂P₂O₆.2H₂O, (III). Both (IV) and (V) were grown in the same reaction vessel by slow concentration at 280 K of a mixture containing a 1:1.6 molar ratio of K₂H₂P₂O₆.H₂O (0.1932 g, 0.76 mmol) and K₄P₂O₆.4H₂O (0.4587 g, 1.19 mmol) in distilled water (4 ml).

S3. Refinement

Non-H atoms were refined anisotropically, except for the low-occupancy positions of the disordered water O atoms, viz. O10W in (IV), and O70W and O80W in (V), which were treated how?. All H atoms were found in difference Fourier maps and refined isotropically. In the final refinement cycles, they were refined with U_iso(H) = 1.5U_eq(O), and with the O—H distances restrained to 0.84 Å [except for H2 in (I), which was treated how?]. Atom H3A in (IV), and atoms H3A, H3B, H6A and H6B in (V), were refined with site-occupancy factors of 0.5.

Computing details

For all compounds, data collection: CrysAlis CCD (Oxford Diffraction, 2009); cell refinement: CrysAlis RED (Oxford Diffraction, 2009); data reduction: CrysAlis RED (Oxford Diffraction, 2009); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2012); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).

Figures

	Fig. 1. Views of (a) (I), (b) (II), (c) (III), (d) (IV), (e) (V) and (f) (VI), showing the atom-numbering schemes and the symmetry-independent intermolecular O—H···O hydrogen bonds (thin dashed lines). Displacement ellipsoids are drawn at the 50% probability level, except for O10W in (IV), and O70W and O80W in (V). The thick dashed lines in (I) indicate alternative covalent bonds to atom H2, and those in (IV) and (V) indicate alternative covalent bonds to H atoms with a site-occupancy factor of 0.5. The alternative hydrogen bonds in (V) are also shown (red and green thin dashed lines, respectively, in the electronic version of the paper). [Symmetry codes for (I): (i) -x + 1, -y + 2, -z + 1; (ii) -x + 1, -y + 1, -z + 1. Symmetry codes for (III): (i) -x + 1, -y + 1, -z; (ii) -x, -y + 1, -z + 1. Symmetry codes for (IV): (i) -x + 2, -y + 1, -z + 1; (ii) -x + 1, -y + 1, -z + 1.]
	Fig. 2. (a) The arrangement of the H3P2O6^- anions in (I) within the hydrogen-bonded three-dimensional network (viewed down the a axis). (b) The isolated [KO6] octahedra located in the anionic network (viewed down the b axis). O—H···O hydrogen bonds are shown as dashed lines. [Symmetry codes: (i) -x + 3/2, y + 1/2, -z + 1/2; (ii) -x + 3/2, y - 1/2, -z + 3/2.]
	Fig. 3. (a) The zigzag ribbons along the b axis formed by the H2P2O6^2- anions in (II), joined by O—H···O hydrogen bonds (blue dashed lines in the electronic version of the paper), held together via water-bridged ribbon···water···ribbon interactions (orange dashed lines). (b) The architecture of a layer parallel to (101) formed by anionic ribbons connected via dimers of edge-shared [KO7] polyhedra based on K1, [K2O12] (dark blue). (c) Two anionic–cationic layers joined to each other via chains of edge-shared [K2O7] polyhedra (light blue), running down the b axis, and water-mediated hydrogen bonds. [Symmetry codes: (i) -x + 3/2, y - 1/2, -z + 3/2; (ii) -x + 2, -y + 1, -z + 1.]
	Fig. 4. (a) The different layers parallel to the (100) plane, formed by the H2P2O6^2- anions in (III) joined via O—H···O hydrogen bonds (blue dashed lines in the electronic version of the paper). (b) Interlayer connections via water-bridged hydrogen bonds (orange dashed lines) and coordination forces with K^+ cations. The [KO8] polyhedra based on K1 (dark blue) and K2 (light blue) are arranged within corrugated layers parallel to the (100) plane. [Symmetry codes: (i) -x + 1, -y + 1, -z; (ii) -x + 1, -y + 1, -z + 1; (iii) x, y, z - 1; (iv) x, -y + 3/2, z - 1/2; (v) -x + 1, y - 1/2, -z + 1/2.]
	Fig. 5. (a) The H2P2O6^2- and HP2O6^3- anions in (IV), joined via O—H···O hydrogen bonds (blue dashed lines in the electronic version of the paper) to form layers parallel to (010). (b) The [KO8] polyhedra based on K1 (dark blue), K2 (light blue) and K3 (grey) are arranged within double layers parallel to the (100) plane. Water-bridged hydrogen bonds (orange dashed lines) between adjacent anionic layers are also shown. [Symmetry codes: (i) -x + 1, -y + 1, -z + 1; (ii) -x + 2, y, -z + 3/2; (iii) x, -y + 1, z + 1/2; (iv) -x + 2, y + 1, -z + 3/2.]
	Fig. 6. The dimers built up from hydrogen-bonded (blue dashed lines in the electronic version of the paper) HP2O6^3- anions in (V), joined via water-mediated O—H···O hydrogen bonds (orange dashed lines) into a three-dimensional network. Atoms H3A, H6A, O70W and O80W have been omitted for clarity. [Symmetry codes: (i) -x + 1, -y + 1, -z + 1; (ii) x, -y + 3/2, z - 1/2; (iv) -x + 1, y - 1/2, -z + 3/2.]
	Fig. 7. The arrangement of isolated P2O6^4- anions and water molecules in (VI) within the layers, further organized into a three-dimensional network of hydrogen bonds (orange dashed lines in the version of the paper). [Symmetry codes: (ii) x - 1, y, z; (iii) x - 1/2, y + 1/2, z; (iv) x - 1/2, -y + 3/2, z - 1/2; (vi) x - 1/2, y - 1/2, z; (#) x, -y + 1, z - 1/2; (&) x + 1, y, z.]
	Fig. 8. The coordination environment of atom K1 (with CN = 6) in (I). [Symmetry codes: (iii) x + 1/2, -y + 3/2, z - 1/2; (iv) -x + 2, -y + 1, -z + 1; (v) x + 1, y, z; (vi) x + 1/2, -y + 3/2, z + 1/2.]
	Fig. 9. The K^+ cations with CN = 7, showing the coordination environments of (a) atoms K5 and K6 in (V), (b) atoms K2 and K3 in (VI), and (c) atoms K1 and K2 in (II). [Symmetry codes for (V): (i) -x + 1, -y + 1, -z + 1; (vii) x + 1, -y + 3/2, z - 1/2; (viii) x + 1, y, z; (ix) x - 1, -y + 3/2, z + 1/2; (x) -x, -y + 1, -z + 2. Symmetry codes for (VI): (ii) x - 1, y, z; (iii) x - 1/2, y + 1/2, z; (iv) x, -y + 1, z - 1/2; (v) x - 1/2, -y + 3/2, z - 1/2; (vi) x + 1/2, -y + 3/2, z - 1/2. Symmetry codes for (II): (i) -x + 1, -y + 1, -z + 1; (ii) -x + 1, -y + 2, -z + 1; (iii) x - 1/2, -y + 3/2, z - 1/2; (iv) x + 1/2, -y + 3/2, z - 1/2; (v) -x + 3/2, y - 1/2, -z + 1/2; (vi) -x + 3/2, y + 1/2, -z + 1/2.]
	Fig. 10. The K^+ cations with CN = 8, showing the coordination environments of (a) atoms K1 and K4 in (VI), (b) atoms K3 and K4 in (V), (c) atoms K1 and K2 in (III), and (d) atoms K1, K2 and K3 in (IV). [Symmetry codes for (VI): (i) x, -y + 1, z + 1/2; (iv) x, -y + 1, z - 1/2; (vi) x + 1/2, -y + 3/2, z - 1/2; (vii) x + 1, -y + 1, z - 1/2; (viii) x + 1, y, z. Symmetry codes for (V): (ii) x, -y + 3/2, z - 1/2; (vi) x - 1, y, z. Symmetry codes for (III): (ii) -x, -y + 1, -z + 1; (iii) x, -y + 3/2, z + 1/2; (iv) -x + 1, -y + 1, -z + 1; (v) x, -y + 1/2, z - 1/2; (vi) x, y, z - 1; (vii) -x, y - 1/2, -z + 1/2. Symmetry codes for (IV): (i) -x + 2, -y + 1, -z + 1; (ii) -x + 1, -y + 1, -z + 1; (iii) x, y + 1, z; (iv) -x + 1, -y + 2, -z + 1; (v) x, -y + 2, z - 1/2; (vi) -x + 2, y, -z + 3/2; (vii) x, -y + 1, z + 1/2; (viii) -x + 1, y, -z + 3/2; (ix) -x + 1, y, -z + 1/2.]
	Fig. 11. The K^+ cations with CN = 9, showing the coordination environments of K1 and K2 in (V). [Symmetry codes: (i) -x + 1, -y + 1, -z + 1; (ii) x, -y + 3/2, z - 1/2; (iii) x, -y + 3/2, z + 1/2; (iv) -x + 1, y - 1/2, -z + 3/2; (v) -x + 1, -y + 1, -z + 2.]
	Fig. 12. The environments of the hypodiphosphate anions in (I)–(VI). (a) Six K^+ cations surrounding (IA), (IB) and (IIIA). (b) Eight K^+ cations around (II), (IIIB) and (IVA). (c) Nine K^+ cations around (VA) and (VA). (d) Ten K^+ cations around (IVB). (e) 12 K^+ cations around (VI). (f) Four K^+ cations around P2O6^4- in K4P2O6.8H2O (Gjikaj et al., 2012). [Symmetry codes for (I): (i) -x + 1, -y + 2, -z + 1; (ii) -x + 1, -y + 1, -z + 1. Symmetry codes for (III): (i) -x + 1, -y + 1, -z; (ii) -x, -y + 1, -z + 1. Symmetry codes for (IV): (i) -x + 2, -y + 1, -z + 1; (ii) -x + 1, -y + 1, -z + 1.] [Please check carefully - a large chunk of text was missing from the CIF between (c) and (f).]

(I) Potassium trihydrogen hypodiphosphate

Crystal data

K^+·H3O6P2^−	F(000) = 400
Mr = 200.06	Dx = 2.199 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 8221 reflections
a = 7.020 (3) Å	θ = 3.2–36.7°
b = 11.043 (4) Å	µ = 1.37 mm^−1
c = 7.803 (3) Å	T = 100 K
β = 92.82 (4)°	Block, colourless
V = 604.2 (4) Å^3	0.25 × 0.19 × 0.11 mm
Z = 4

Data collection

Kuma KM4-CCD κ-geometry diffractometer with a Sapphire CCD camera	2704 independent reflections
Radiation source: Enhance (Mo) X-ray Source	2481 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.015
ω scans	θmax = 36.7°, θmin = 3.2°
Absorption correction: analytical (CrysAlis RED; Oxford Diffraction, 2009)	h = −11→11
Tmin = 0.710, Tmax = 0.869	k = −18→18
8662 measured reflections	l = −12→7

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.022	Hydrogen site location: difference Fourier map
wR(F^2) = 0.057	Only H-atom coordinates refined
S = 1.11	w = 1/[σ^2(Fo^2) + (0.0302P)^2 + 0.2023P] where P = (Fo^2 + 2Fc^2)/3
2704 reflections	(Δ/σ)max = 0.001
91 parameters	Δρmax = 0.50 e Å^−3
2 restraints	Δρmin = −0.49 e Å^−3

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
K1	1.06694 (3)	0.754914 (19)	0.49954 (3)	0.01271 (5)
P1A	0.56651 (3)	0.91516 (2)	0.54121 (3)	0.00702 (5)
O1A	0.57958 (11)	0.90843 (6)	0.73374 (9)	0.01078 (12)
O2A	0.44172 (10)	0.81759 (6)	0.45227 (9)	0.01101 (12)
H2	0.508 (3)	0.7376 (15)	0.401 (2)	0.017*
O3A	0.77029 (11)	0.91660 (7)	0.46985 (9)	0.01125 (12)
H3A	0.771 (3)	0.9208 (15)	0.3623 (3)	0.017*
P1B	0.62895 (4)	0.52970 (2)	0.43872 (3)	0.00771 (5)
O1B	0.70699 (11)	0.42203 (6)	0.34639 (9)	0.01107 (12)
O2B	0.57615 (11)	0.63768 (6)	0.32327 (9)	0.01056 (12)
O3B	0.76870 (11)	0.57699 (7)	0.58610 (9)	0.01243 (13)
H3B	0.813 (2)	0.5215 (11)	0.6502 (18)	0.019*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
K1	0.01150 (9)	0.01308 (8)	0.01341 (9)	0.00314 (7)	−0.00072 (6)	−0.00306 (6)
P1A	0.00796 (10)	0.00624 (9)	0.00682 (9)	0.00055 (7)	−0.00004 (7)	0.00020 (6)
O1A	0.0141 (3)	0.0111 (3)	0.0071 (3)	0.0000 (2)	0.0003 (2)	0.0011 (2)
O2A	0.0118 (3)	0.0072 (2)	0.0140 (3)	−0.0004 (2)	−0.0006 (2)	−0.0023 (2)
O3A	0.0088 (3)	0.0148 (3)	0.0102 (3)	0.0019 (2)	0.0014 (2)	0.0017 (2)
P1B	0.00916 (10)	0.00707 (9)	0.00698 (9)	0.00101 (7)	0.00109 (7)	−0.00017 (7)
O1B	0.0142 (3)	0.0091 (3)	0.0103 (3)	0.0035 (2)	0.0045 (2)	0.0000 (2)
O2B	0.0152 (3)	0.0080 (2)	0.0085 (3)	0.0023 (2)	0.0009 (2)	0.0011 (2)
O3B	0.0138 (3)	0.0119 (3)	0.0112 (3)	−0.0009 (2)	−0.0029 (2)	0.0003 (2)

Geometric parameters (Å, º)

P1A—P1A^i	2.1765 (8)	K1—O2A^v	2.7627 (14)
P1A—O1A	1.5024 (9)	K1—O2B^vi	2.7885 (11)
P1A—O2A	1.5331 (9)	K1—O3B	2.9731 (12)
P1A—O3A	1.5605 (10)	O1A—K1^vii	2.7535 (10)
P1B—P1B^ii	2.1892 (10)	O2A—K1^viii	2.7627 (13)
P1B—O1B	1.5072 (8)	O2A—H2	1.08 (2)
P1B—O2B	1.5290 (8)	O3A—H3A	0.84
P1B—O3B	1.5642 (10)	O1B—K1^iv	2.7558 (11)
K1—O3A	2.7443 (11)	O2B—K1^ix	2.7885 (11)
K1—O1A^iii	2.7535 (10)	O2B—H2	1.36 (2)
K1—O1B^iv	2.7558 (11)	O3B—H3B	0.84
O1A—P1A—O2A	115.04 (5)	O2A^v—K1—O2B^vi	91.98 (4)
O1A—P1A—O3A	110.20 (6)	O3A—K1—O3B	84.79 (4)
O2A—P1A—O3A	111.05 (5)	O1A^iii—K1—O3B	77.72 (4)
O1A—P1A—P1A^i	110.01 (4)	O1B^iv—K1—O3B	80.16 (4)
O2A—P1A—P1A^i	104.13 (4)	O2A^v—K1—O3B	151.86 (2)
O3A—P1A—P1A^i	105.86 (4)	O2B^vi—K1—O3B	93.47 (4)
O1B—P1B—O2B	114.63 (5)	P1A—O1A—K1^vii	141.53 (4)
O1B—P1B—O3B	112.66 (5)	P1A—O2A—K1^viii	129.97 (4)
O2B—P1B—O3B	107.33 (5)	P1A—O2A—H2	119.7 (10)
O1B—P1B—P1B^ii	107.48 (4)	K1^viii—O2A—H2	105.8 (10)
O2B—P1B—P1B^ii	108.02 (4)	P1A—O3A—K1	131.95 (4)
O3B—P1B—P1B^ii	106.33 (5)	P1A—O3A—H3A	114.1 (13)
O3A—K1—O1A^iii	114.53 (4)	K1—O3A—H3A	94.5 (12)
O3A—K1—O1B^iv	156.42 (3)	P1B—O1B—K1^iv	124.46 (5)
O1A^iii—K1—O1B^iv	79.92 (4)	P1B—O2B—K1^ix	149.27 (4)
O3A—K1—O2A^v	123.33 (3)	P1B—O2B—H2	116.9 (7)
O1A^iii—K1—O2A^v	89.85 (4)	K1^ix—O2B—H2	93.7 (7)
O1B^iv—K1—O2A^v	72.79 (3)	P1B—O3B—K1	118.48 (4)
O3A—K1—O2B^vi	77.49 (4)	P1B—O3B—H3B	113.2 (12)
O1A^iii—K1—O2B^vi	163.91 (2)	K1—O3B—H3B	112.0 (12)
O1B^iv—K1—O2B^vi	85.37 (4)
O1A—P1A—P1A^i—O2A^i	56.21 (6)	O2A^v—K1—O3A—P1A	−158.62 (5)
O1A—P1A—P1A^i—O3A^i	−60.95 (6)	O2B^vi—K1—O3A—P1A	−74.56 (6)
O2A—P1A—P1A^i—O3A^i	62.84 (5)	O3B—K1—O3A—P1A	20.17 (5)
O1B—P1B—P1B^ii—O2B^ii	55.81 (5)	O2B—P1B—O1B—K1^iv	157.38 (4)
O1B—P1B—P1B^ii—O3B^ii	−59.13 (5)	O3B—P1B—O1B—K1^iv	34.25 (6)
O2B—P1B—P1B^ii—O3B^ii	65.06 (5)	P1B^ii—P1B—O1B—K1^iv	−82.54 (6)
O2A—P1A—O1A—K1^vii	29.65 (9)	O1B—P1B—O2B—K1^ix	−4.61 (10)
O3A—P1A—O1A—K1^vii	−96.80 (7)	O3B—P1B—O2B—K1^ix	121.33 (9)
P1A^i—P1A—O1A—K1^vii	146.84 (6)	P1B^ii—P1B—O2B—K1^ix	−124.39 (8)
O1A—P1A—O2A—K1^viii	54.21 (7)	O1B—P1B—O3B—K1	86.64 (6)
O3A—P1A—O2A—K1^viii	−179.77 (4)	O2B—P1B—O3B—K1	−40.48 (5)
P1A^i—P1A—O2A—K1^viii	−66.26 (5)	P1B^ii—P1B—O3B—K1	−155.88 (3)
O1A—P1A—O3A—K1	59.32 (6)	O3A—K1—O3B—P1B	73.58 (5)
O2A—P1A—O3A—K1	−69.35 (7)	O1A^iii—K1—O3B—P1B	−42.94 (5)
P1A^i—P1A—O3A—K1	178.24 (4)	O1B^iv—K1—O3B—P1B	−124.65 (5)
O1A^iii—K1—O3A—P1A	94.13 (6)	O2A^v—K1—O3B—P1B	−108.56 (6)
O1B^iv—K1—O3A—P1A	−30.22 (10)	O2B^vi—K1—O3B—P1B	150.67 (5)

Symmetry codes: (i) −x+1, −y+2, −z+1; (ii) −x+1, −y+1, −z+1; (iii) x+1/2, −y+3/2, z−1/2; (iv) −x+2, −y+1, −z+1; (v) x+1, y, z; (vi) x+1/2, −y+3/2, z+1/2; (vii) x−1/2, −y+3/2, z+1/2; (viii) x−1, y, z; (ix) x−1/2, −y+3/2, z−1/2.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O2A—H2···O2B	1.08 (2)	1.36 (2)	2.4381 (12)	174 (2)
O3A—H3A···O1B^x	0.84	1.64	2.4813 (14)	174
O3B—H3B···O1A^xi	0.84	1.70	2.5354 (13)	174

Symmetry codes: (x) −x+3/2, y+1/2, −z+1/2; (xi) −x+3/2, y−1/2, −z+3/2.

(II) Dipotassium dihydrogen hypodiphosphate monohydrate

Crystal data

2K^+·H2O6P2^2^−·H2O	F(000) = 512
Mr = 256.17	Dx = 2.173 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 10984 reflections
a = 10.021 (3) Å	θ = 3.3–36.9°
b = 7.645 (2) Å	µ = 1.61 mm^−1
c = 10.229 (3) Å	T = 100 K
β = 92.18 (4)°	Block, colourless
V = 783.1 (4) Å^3	0.20 × 0.20 × 0.20 mm
Z = 4

Data collection

Kuma KM4-CCD κ-geometry diffractometer with a Sapphire CCD camera	3250 independent reflections
Radiation source: Enhance (Mo) X-ray Source	3032 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.017
ω scans	θmax = 36.9°, θmin = 3.3°
Absorption correction: analytical (CrysAlis RED; Oxford Diffraction, 2009)	h = −16→16
Tmin = 0.705, Tmax = 0.791	k = −12→11
11089 measured reflections	l = −16→16

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.020	Hydrogen site location: difference Fourier map
wR(F^2) = 0.051	Only H-atom coordinates refined
S = 1.16	w = 1/[σ^2(Fo^2) + (0.0257P)^2 + 0.2191P] where P = (Fo^2 + 2Fc^2)/3
3250 reflections	(Δ/σ)max = 0.001
112 parameters	Δρmax = 0.38 e Å^−3
4 restraints	Δρmin = −0.72 e Å^−3

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
K1	0.425691 (19)	0.72505 (2)	0.393240 (18)	0.01070 (4)
K2	0.774916 (18)	0.50791 (2)	0.272773 (18)	0.00911 (4)
P1	0.58133 (2)	0.75308 (3)	0.70878 (2)	0.00612 (5)
P2	0.74210 (2)	0.74290 (3)	0.57144 (2)	0.00581 (5)
O1	0.46753 (7)	0.64191 (9)	0.65733 (7)	0.01081 (12)
O2	0.55356 (6)	0.94334 (8)	0.73800 (6)	0.00933 (11)
O3	0.65124 (7)	0.67362 (8)	0.83779 (6)	0.00856 (11)
H3	0.6459 (14)	0.5647 (4)	0.8475 (14)	0.013*
O4	0.69090 (7)	0.79268 (8)	0.43740 (6)	0.00966 (11)
O5	0.85668 (6)	0.84778 (8)	0.63471 (6)	0.00852 (11)
O6	0.78580 (7)	0.54327 (8)	0.56865 (7)	0.00937 (11)
H6	0.8411 (11)	0.5125 (18)	0.6280 (10)	0.014*
O1W	0.87698 (7)	0.21627 (9)	0.38923 (7)	0.01156 (12)
H1W	0.9593 (4)	0.199 (2)	0.3827 (15)	0.017*
H2W	0.8619 (16)	0.221 (2)	0.4693 (4)	0.017*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
K1	0.00980 (8)	0.01273 (7)	0.00931 (8)	−0.00142 (5)	−0.00291 (7)	0.00125 (5)
K2	0.00902 (8)	0.00901 (7)	0.00931 (8)	0.00061 (5)	0.00048 (6)	−0.00083 (5)
P1	0.00600 (9)	0.00645 (8)	0.00588 (9)	−0.00040 (6)	−0.00028 (8)	−0.00010 (6)
P2	0.00623 (9)	0.00576 (8)	0.00540 (9)	−0.00024 (6)	−0.00025 (8)	−0.00005 (6)
O1	0.0089 (3)	0.0138 (3)	0.0096 (3)	−0.0044 (2)	−0.0011 (2)	−0.0002 (2)
O2	0.0099 (3)	0.0074 (2)	0.0107 (3)	0.00163 (19)	0.0001 (2)	−0.00052 (19)
O3	0.0116 (3)	0.0074 (2)	0.0065 (2)	−0.00015 (19)	−0.0015 (2)	0.00096 (18)
O4	0.0104 (3)	0.0118 (2)	0.0067 (3)	0.0000 (2)	−0.0009 (2)	0.00204 (19)
O5	0.0074 (3)	0.0078 (2)	0.0103 (3)	−0.00094 (19)	−0.0006 (2)	−0.00138 (19)
O6	0.0112 (3)	0.0067 (2)	0.0100 (3)	0.00161 (19)	−0.0018 (2)	−0.00109 (19)
O1W	0.0100 (3)	0.0156 (3)	0.0091 (3)	0.0016 (2)	0.0002 (2)	0.0002 (2)

Geometric parameters (Å, º)

P1—P2	2.1789 (9)	K1—K2	4.1048 (12)
P1—O1	1.5014 (8)	K1—K2^vi	4.1169 (12)
P1—O2	1.5129 (7)	K1—K2^i	4.4053 (14)
P1—O3	1.5910 (8)	K1—K2^vii	4.6871 (14)
P2—O4	1.4947 (8)	K2—K1^v	4.1169 (12)
P2—O5	1.5243 (8)	K2—K1^i	4.4053 (14)
P2—O6	1.5884 (7)	K2—K1^iv	4.6871 (14)
K1—O1	2.7913 (11)	K2—K2^v	3.8808 (10)
K1—O4	2.7283 (11)	K2—K2^vi	3.8808 (10)
K1—O1^i	3.0537 (10)	O1—K2^i	2.8032 (10)
K1—O2^ii	2.8798 (9)	O1—K1^i	3.0537 (10)
K1—O3^iii	2.8926 (11)	O2—K2^vii	2.8527 (11)
K1—O5^iii	2.7645 (11)	O2—K1^ii	2.8798 (9)
K1—O6^i	2.9857 (9)	O3—K1^viii	2.8926 (11)
K2—O4	2.8969 (9)	O3—H3	0.84
K2—O6	3.0364 (11)	O4—K2^vi	2.7391 (9)
K2—O1^i	2.8031 (10)	O5—K1^viii	2.7645 (11)
K2—O2^iv	2.8527 (11)	O6—K1^i	2.9857 (9)
K2—O4^v	2.7391 (9)	O6—H6	0.84
K2—O1W	2.7099 (9)	O1W—K2^v	2.7218 (11)
K2—O1W^vi	2.7218 (11)	O1W—H1W	0.84
K1—K1^i	4.3107 (10)	O1W—H2W	0.84
K1—K1^ii	4.9410 (11)
O1—P1—O2	118.07 (4)	O1^i—K2—O6	77.34 (4)
O1—P1—O3	112.28 (5)	O2^iv—K2—O6	96.57 (4)
O2—P1—O3	106.36 (4)	O4—K2—O6	49.75 (2)
O1—P1—P2	108.92 (4)	O1W—K2—K2^vi	155.214 (19)
O2—P1—P2	107.93 (3)	O1W^vi—K2—K2^vi	44.277 (17)
O3—P1—P2	102.01 (4)	O4^v—K2—K2^vi	121.12 (2)
O4—P2—O5	118.83 (5)	O1^i—K2—K2^vi	108.921 (19)
O4—P2—O6	108.26 (4)	O2^iv—K2—K2^vi	88.765 (15)
O5—P2—O6	108.02 (4)	O4—K2—K2^vi	44.817 (19)
O4—P2—P1	110.24 (4)	O6—K2—K2^vi	91.808 (15)
O5—P2—P1	105.72 (3)	O1W—K2—K2^v	44.52 (2)
O6—P2—P1	104.89 (3)	O1W^vi—K2—K2^v	115.91 (2)
O4—K1—O5^iii	113.78 (4)	O4^v—K2—K2^v	48.198 (18)
O4—K1—O1	76.90 (4)	O1^i—K2—K2^v	61.272 (18)
O5^iii—K1—O1	154.53 (2)	O2^iv—K2—K2^v	103.639 (15)
O4—K1—O2^ii	79.82 (3)	O4—K2—K2^v	140.45 (2)
O5^iii—K1—O2^ii	75.60 (2)	O6—K2—K2^v	101.943 (14)
O1—K1—O2^ii	129.85 (2)	K2^vi—K2—K2^v	160.120 (14)
O4—K1—O3^iii	153.47 (2)	O1W—K2—K1	120.84 (2)
O5^iii—K1—O3^iii	70.43 (4)	O1W^vi—K2—K1	58.85 (3)
O1—K1—O3^iii	110.94 (4)	O4^v—K2—K1	127.74 (3)
O2^ii—K1—O3^iii	75.98 (3)	O1^i—K2—K1	48.06 (2)
O4—K1—O6^i	143.17 (2)	O2^iv—K2—K1	146.545 (19)
O5^iii—K1—O6^i	80.42 (3)	O4—K2—K1	41.55 (2)
O1—K1—O6^i	78.37 (3)	O6—K2—K1	70.33 (4)
O2^ii—K1—O6^i	136.88 (3)	K2^vi—K2—K1	61.992 (11)
O3^iii—K1—O6^i	62.31 (2)	K2^v—K2—K1	109.094 (13)
O4—K1—O1^i	81.76 (2)	P1—O1—K1	107.12 (4)
O5^iii—K1—O1^i	74.30 (2)	P1—O1—K2^i	142.75 (4)
O1—K1—O1^i	85.07 (3)	K1—O1—K2^i	103.90 (4)
O2^ii—K1—O1^i	134.25 (3)	P1—O1—K1^i	108.24 (4)
O3^iii—K1—O1^i	123.33 (2)	K1—O1—K1^i	94.93 (3)
O6^i—K1—O1^i	69.27 (3)	K2^i—O1—K1^i	88.88 (3)
O4—K1—K2	44.77 (2)	P1—O2—K2^vii	109.78 (3)
O5^iii—K1—K2	79.42 (4)	P1—O2—K1^ii	137.49 (4)
O1—K1—K2	95.74 (4)	K2^vii—O2—K1^ii	91.80 (3)
O2^ii—K1—K2	97.97 (3)	P1—O3—K1^viii	116.47 (4)
O3^iii—K1—K2	149.831 (18)	P1—O3—H3	116.6 (10)
O6^i—K1—K2	112.26 (2)	K1^viii—O3—H3	107.8 (10)
O1^i—K1—K2	43.060 (13)	P2—O4—K1	113.69 (5)
O1W—K2—O1W^vi	160.41 (2)	P2—O4—K2^vi	145.49 (4)
O1W—K2—O4^v	78.14 (3)	K1—O4—K2^vi	97.70 (4)
O1W^vi—K2—O4^v	87.56 (3)	P2—O4—K2	104.16 (4)
O1W—K2—O1^i	82.41 (3)	K1—O4—K2	93.68 (3)
O1W^vi—K2—O1^i	85.66 (3)	K2^vi—O4—K2	86.99 (3)
O4^v—K2—O1^i	95.18 (4)	P2—O5—K1^viii	117.21 (4)
O1W—K2—O2^iv	78.90 (3)	P2—O6—K1^i	117.41 (4)
O1W^vi—K2—O2^iv	112.02 (3)	P2—O6—K2	95.97 (3)
O4^v—K2—O2^iv	80.12 (4)	K1^i—O6—K2	94.03 (3)
O1^i—K2—O2^iv	161.29 (2)	P2—O6—H6	115.5 (10)
O1W—K2—O4	118.42 (3)	K1^i—O6—H6	99.5 (10)
O1W^vi—K2—O4	75.28 (3)	K2—O6—H6	133.9 (10)
O4^v—K2—O4	162.839 (16)	K2—O1W—K2^v	91.20 (3)
O1^i—K2—O4	83.39 (3)	K2—O1W—H1W	116.6 (11)
O2^iv—K2—O4	106.37 (3)	K2^v—O1W—H1W	112.9 (11)
O1W—K2—O6	68.68 (3)	K2—O1W—H2W	108.4 (11)
O1W^vi—K2—O6	123.56 (3)	K2^v—O1W—H2W	120.1 (11)
O4^v—K2—O6	146.61 (2)	H1W—O1W—H2W	107.3 (15)
O1—P1—P2—O4	54.21 (5)	K2—K1—O1—K1^i	−41.778 (16)
O2—P1—P2—O4	−75.12 (4)	O1—P1—O2—K2^vii	20.90 (5)
O3—P1—P2—O4	173.07 (4)	O3—P1—O2—K2^vii	−106.29 (5)
O1—P1—P2—O5	−176.17 (4)	P2—P1—O2—K2^vii	144.86 (3)
O2—P1—P2—O5	54.51 (4)	O1—P1—O2—K1^ii	−95.33 (7)
O3—P1—P2—O5	−57.31 (4)	O3—P1—O2—K1^ii	137.48 (5)
O1—P1—P2—O6	−62.13 (4)	P2—P1—O2—K1^ii	28.63 (6)
O2—P1—P2—O6	168.54 (4)	O1—P1—O3—K1^viii	155.74 (4)
O3—P1—P2—O6	56.73 (4)	O2—P1—O3—K1^viii	−73.69 (5)
O4—K1—K2—O1W	99.33 (4)	P2—P1—O3—K1^viii	39.29 (3)
O5^iii—K1—K2—O1W	−120.26 (3)	O5—P2—O4—K1	−149.26 (3)
O1—K1—K2—O1W	34.46 (2)	O6—P2—O4—K1	87.13 (4)
O2^ii—K1—K2—O1W	166.10 (2)	P1—P2—O4—K1	−27.08 (4)
O3^iii—K1—K2—O1W	−118.14 (4)	O5—P2—O4—K2^vi	4.45 (9)
O6^i—K1—K2—O1W	−45.30 (3)	O6—P2—O4—K2^vi	−119.15 (7)
O1^i—K1—K2—O1W	−41.99 (3)	P1—P2—O4—K2^vi	126.64 (6)
O4—K1—K2—O1W^vi	−103.56 (4)	O5—P2—O4—K2	110.20 (4)
O5^iii—K1—K2—O1W^vi	36.85 (2)	O6—P2—O4—K2	−13.41 (4)
O1—K1—K2—O1W^vi	−168.43 (2)	P1—P2—O4—K2	−127.62 (2)
O2^ii—K1—K2—O1W^vi	−36.80 (2)	O5^iii—K1—O4—P2	−150.42 (3)
O3^iii—K1—K2—O1W^vi	38.97 (4)	O1—K1—O4—P2	5.14 (4)
O6^i—K1—K2—O1W^vi	111.81 (3)	O2^ii—K1—O4—P2	140.39 (4)
O1^i—K1—K2—O1W^vi	115.11 (3)	O3^iii—K1—O4—P2	115.97 (5)
O4—K1—K2—O4^v	−161.50 (3)	O6^i—K1—O4—P2	−43.87 (6)
O5^iii—K1—K2—O4^v	−21.10 (3)	O1^i—K1—O4—P2	−81.68 (4)
O1—K1—K2—O4^v	133.63 (3)	K2—K1—O4—P2	−107.21 (4)
O2^ii—K1—K2—O4^v	−94.74 (3)	O5^iii—K1—O4—K2^vi	44.24 (3)
O3^iii—K1—K2—O4^v	−18.97 (4)	O1—K1—O4—K2^vi	−160.19 (2)
O6^i—K1—K2—O4^v	53.87 (3)	O2^ii—K1—O4—K2^vi	−24.94 (2)
O1^i—K1—K2—O4^v	57.17 (3)	O3^iii—K1—O4—K2^vi	−49.37 (5)
O4—K1—K2—O1^i	141.33 (3)	O6^i—K1—O4—K2^vi	150.80 (3)
O5^iii—K1—K2—O1^i	−78.27 (3)	O1^i—K1—O4—K2^vi	112.99 (3)
O1—K1—K2—O1^i	76.46 (3)	K2—K1—O4—K2^vi	87.45 (3)
O2^ii—K1—K2—O1^i	−151.91 (3)	O5^iii—K1—O4—K2	−43.21 (3)
O3^iii—K1—K2—O1^i	−76.14 (4)	O1—K1—O4—K2	112.36 (3)
O6^i—K1—K2—O1^i	−3.30 (2)	O2^ii—K1—O4—K2	−112.39 (3)
O4—K1—K2—O2^iv	−20.45 (3)	O3^iii—K1—O4—K2	−136.82 (4)
O5^iii—K1—K2—O2^iv	119.95 (3)	O6^i—K1—O4—K2	63.35 (4)
O1—K1—K2—O2^iv	−85.32 (4)	O1^i—K1—O4—K2	25.538 (19)
O2^ii—K1—K2—O2^iv	46.31 (4)	O1W—K2—O4—P2	10.01 (4)
O3^iii—K1—K2—O2^iv	122.08 (4)	O1W^vi—K2—O4—P2	174.90 (4)
O6^i—K1—K2—O2^iv	−165.08 (3)	O4^v—K2—O4—P2	173.81 (5)
O1^i—K1—K2—O2^iv	−161.78 (3)	O1^i—K2—O4—P2	87.66 (4)
O5^iii—K1—K2—O4	140.41 (3)	O2^iv—K2—O4—P2	−76.02 (5)
O1—K1—K2—O4	−64.87 (3)	O6—K2—O4—P2	8.68 (3)
O2^ii—K1—K2—O4	66.77 (3)	K2^vi—K2—O4—P2	−146.91 (4)
O3^iii—K1—K2—O4	142.53 (4)	K2^v—K2—O4—P2	61.85 (5)
O6^i—K1—K2—O4	−144.63 (3)	K1—K2—O4—P2	115.56 (5)
O1^i—K1—K2—O4	−141.33 (3)	O1W—K2—O4—K1	−105.55 (4)
O4—K1—K2—O6	50.86 (3)	O1W^vi—K2—O4—K1	59.33 (3)
O5^iii—K1—K2—O6	−168.73 (2)	O4^v—K2—O4—K1	58.24 (7)
O1—K1—K2—O6	−14.008 (19)	O1^i—K2—O4—K1	−27.90 (2)
O2^ii—K1—K2—O6	117.62 (2)	O2^iv—K2—O4—K1	168.418 (18)
O3^iii—K1—K2—O6	−166.61 (3)	O6—K2—O4—K1	−106.88 (4)
O6^i—K1—K2—O6	−93.77 (2)	K2^vi—K2—O4—K1	97.53 (4)
O1^i—K1—K2—O6	−90.47 (3)	K2^v—K2—O4—K1	−53.71 (3)
O4—K1—K2—K2^vi	−52.32 (2)	O1W—K2—O4—K2^vi	156.92 (2)
O5^iii—K1—K2—K2^vi	88.085 (19)	O1W^vi—K2—O4—K2^vi	−38.20 (2)
O1—K1—K2—K2^vi	−117.19 (2)	O4^v—K2—O4—K2^vi	−39.29 (6)
O2^ii—K1—K2—K2^vi	14.443 (15)	O1^i—K2—O4—K2^vi	−125.43 (3)
O3^iii—K1—K2—K2^vi	90.21 (3)	O2^iv—K2—O4—K2^vi	70.89 (4)
O6^i—K1—K2—K2^vi	163.051 (17)	O6—K2—O4—K2^vi	155.59 (3)
O1^i—K1—K2—K2^vi	166.35 (2)	K2^v—K2—O4—K2^vi	−151.24 (2)
O4—K1—K2—K2^v	147.11 (2)	K1—K2—O4—K2^vi	−97.53 (4)
O5^iii—K1—K2—K2^v	−72.49 (2)	O4—P2—O5—K1^viii	172.73 (4)
O1—K1—K2—K2^v	82.24 (2)	O6—P2—O5—K1^viii	−63.54 (5)
O2^ii—K1—K2—K2^v	−146.13 (2)	P1—P2—O5—K1^viii	48.32 (4)
O3^iii—K1—K2—K2^v	−70.36 (3)	O4—P2—O6—K1^i	−85.23 (6)
O6^i—K1—K2—K2^v	2.480 (16)	O5—P2—O6—K1^i	144.88 (4)
O1^i—K1—K2—K2^v	5.782 (19)	P1—P2—O6—K1^i	32.46 (4)
O2—P1—O1—K1	77.10 (5)	O4—P2—O6—K2	12.46 (4)
O3—P1—O1—K1	−158.59 (3)	O5—P2—O6—K2	−117.44 (5)
P2—P1—O1—K1	−46.37 (4)	P1—P2—O6—K2	130.15 (3)
O2—P1—O1—K2^i	−68.02 (7)	O1W—K2—O6—P2	173.29 (4)
O3—P1—O1—K2^i	56.28 (7)	O1W^vi—K2—O6—P2	−24.02 (4)
P2—P1—O1—K2^i	168.51 (5)	O4^v—K2—O6—P2	179.95 (3)
O2—P1—O1—K1^i	178.42 (3)	O1^i—K2—O6—P2	−100.01 (3)
O3—P1—O1—K1^i	−57.28 (5)	O2^iv—K2—O6—P2	97.95 (3)
P2—P1—O1—K1^i	54.95 (3)	O4—K2—O6—P2	−7.96 (2)
O4—K1—O1—P1	28.15 (3)	K2^vi—K2—O6—P2	8.98 (3)
O5^iii—K1—O1—P1	146.46 (4)	K2^v—K2—O6—P2	−156.57 (3)
O2^ii—K1—O1—P1	−36.35 (5)	K1—K2—O6—P2	−50.34 (2)
O3^iii—K1—O1—P1	−125.30 (4)	O1W—K2—O6—K1^i	−68.59 (3)
O6^i—K1—O1—P1	−179.37 (4)	O1W^vi—K2—O6—K1^i	94.10 (3)
O1^i—K1—O1—P1	110.82 (5)	O4^v—K2—O6—K1^i	−61.93 (4)
K2—K1—O1—P1	69.04 (4)	O1^i—K2—O6—K1^i	18.113 (18)
O4—K1—O1—K2^i	−172.74 (3)	O2^iv—K2—O6—K1^i	−143.93 (2)
O5^iii—K1—O1—K2^i	−54.43 (6)	O4—K2—O6—K1^i	110.16 (3)
O2^ii—K1—O1—K2^i	122.76 (3)	K2^vi—K2—O6—K1^i	127.10 (2)
O3^iii—K1—O1—K2^i	33.81 (3)	K2^v—K2—O6—K1^i	−38.448 (19)
O6^i—K1—O1—K2^i	−20.25 (2)	K1—K2—O6—K1^i	67.78 (2)
O1^i—K1—O1—K2^i	−90.07 (3)	O1W^vi—K2—O1W—K2^v	3.21 (9)
K2—K1—O1—K2^i	−131.85 (2)	O4^v—K2—O1W—K2^v	−40.74 (3)
O4—K1—O1—K1^i	−82.67 (3)	O1^i—K2—O1W—K2^v	56.21 (3)
O5^iii—K1—O1—K1^i	35.64 (5)	O2^iv—K2—O1W—K2^v	−122.83 (3)
O2^ii—K1—O1—K1^i	−147.17 (3)	O4—K2—O1W—K2^v	134.44 (3)
O3^iii—K1—O1—K1^i	123.88 (2)	O6—K2—O1W—K2^v	135.53 (3)
O6^i—K1—O1—K1^i	69.82 (3)	K2^vi—K2—O1W—K2^v	175.68 (3)
O1^i—K1—O1—K1^i	0.0	K1—K2—O1W—K2^v	86.35 (3)

Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) −x+1, −y+2, −z+1; (iii) x−1/2, −y+3/2, z−1/2; (iv) x+1/2, −y+3/2, z−1/2; (v) −x+3/2, y−1/2, −z+1/2; (vi) −x+3/2, y+1/2, −z+1/2; (vii) x−1/2, −y+3/2, z+1/2; (viii) x+1/2, −y+3/2, z+1/2.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O3—H3···O5^ix	0.84	1.67	2.5085 (11)	177
O6—H6···O2^ix	0.84	1.78	2.6162 (13)	175
O1W—H1W···O5^x	0.84	1.89	2.7337 (12)	178
O1W—H2W···O3^ix	0.84	2.02	2.8361 (13)	166

Symmetry codes: (ix) −x+3/2, y−1/2, −z+3/2; (x) −x+2, −y+1, −z+1.

(III) Dipotassium dihydrogen hypodiphosphate dihydrate

Crystal data

2K^+·H2O6P2^2^−·2H2O	F(000) = 552
Mr = 274.19	Dx = 2.160 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 12171 reflections
a = 14.279 (4) Å	θ = 3.7–36.9°
b = 8.955 (3) Å	µ = 1.51 mm^−1
c = 6.665 (2) Å	T = 100 K
β = 98.33 (4)°	Block, colourless
V = 843.3 (4) Å^3	0.35 × 0.31 × 0.17 mm
Z = 4

Data collection

Kuma KM4-CCD κ-geometry diffractometer with a Sapphire CCD camera	3825 independent reflections
Radiation source: Enhance (Mo) X-ray Source	3663 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.013
ω scans	θmax = 36.9°, θmin = 3.7°
Absorption correction: analytical (CrysAlis RED; Oxford Diffraction, 2009)	h = −21→23
Tmin = 0.638, Tmax = 0.814	k = −14→14
12658 measured reflections	l = −7→11

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.018	Only H-atom coordinates refined
wR(F^2) = 0.050	w = 1/[σ^2(Fo^2) + (0.0282P)^2 + 0.2245P] where P = (Fo^2 + 2Fc^2)/3
S = 1.13	(Δ/σ)max = 0.002
3825 reflections	Δρmax = 0.49 e Å^−3
128 parameters	Δρmin = −0.51 e Å^−3
6 restraints	Extinction correction: SHELXL97 (Sheldrick, 2008), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0068 (7)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
K1	0.319426 (11)	0.617751 (17)	0.41629 (2)	0.01025 (4)
K2	0.129378 (11)	0.340841 (17)	0.11720 (2)	0.00970 (4)
P1A	0.510538 (13)	0.550009 (19)	0.15075 (3)	0.00624 (4)
O1A	0.45688 (4)	0.69650 (6)	0.14135 (8)	0.00940 (9)
O2A	0.61618 (4)	0.55739 (6)	0.22338 (8)	0.00950 (9)
O3A	0.45786 (4)	0.44064 (6)	0.28213 (9)	0.00966 (9)
H3A	0.4847 (9)	0.3577 (8)	0.305 (2)	0.014*
P1B	0.060561 (13)	0.565691 (19)	0.56659 (3)	0.00637 (4)
O1B	0.12271 (4)	0.47037 (6)	0.71673 (8)	0.01040 (9)
O2B	0.02151 (4)	0.70891 (6)	0.64359 (8)	0.00988 (9)
O3B	0.11538 (4)	0.59930 (6)	0.37947 (8)	0.00928 (9)
H3B	0.0871 (9)	0.6601 (12)	0.2957 (16)	0.014*
O1W	0.25478 (4)	0.59597 (7)	−0.00014 (9)	0.01259 (10)
H1W	0.2097 (7)	0.5681 (16)	−0.0873 (16)	0.019*
H2W	0.3010 (7)	0.5544 (15)	−0.042 (2)	0.019*
O2W	0.27642 (4)	0.28956 (7)	0.44883 (9)	0.01180 (10)
H3W	0.3102 (9)	0.3257 (15)	0.5508 (14)	0.018*
H4W	0.3105 (8)	0.2274 (12)	0.399 (2)	0.018*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
K1	0.00920 (6)	0.01053 (6)	0.01084 (6)	0.00068 (4)	0.00080 (5)	−0.00068 (4)
K2	0.00959 (6)	0.00995 (6)	0.00970 (6)	−0.00067 (4)	0.00194 (5)	−0.00077 (4)
P1A	0.00585 (7)	0.00585 (7)	0.00690 (7)	0.00002 (5)	0.00052 (5)	−0.00061 (5)
O1A	0.0098 (2)	0.00620 (18)	0.0119 (2)	0.00129 (16)	0.00057 (17)	−0.00099 (16)
O2A	0.0067 (2)	0.0113 (2)	0.0101 (2)	−0.00048 (16)	−0.00028 (17)	−0.00123 (16)
O3A	0.0101 (2)	0.0082 (2)	0.0114 (2)	0.00053 (16)	0.00356 (18)	0.00180 (16)
P1B	0.00572 (7)	0.00639 (7)	0.00676 (7)	−0.00005 (5)	0.00015 (5)	−0.00044 (5)
O1B	0.0096 (2)	0.0101 (2)	0.0103 (2)	0.00009 (17)	−0.00250 (17)	0.00164 (17)
O2B	0.0102 (2)	0.0085 (2)	0.0109 (2)	0.00066 (16)	0.00130 (17)	−0.00294 (16)
O3B	0.0086 (2)	0.0095 (2)	0.0103 (2)	0.00081 (16)	0.00317 (17)	0.00176 (16)
O1W	0.0090 (2)	0.0147 (2)	0.0134 (2)	0.00019 (18)	−0.00073 (18)	−0.00276 (19)
O2W	0.0102 (2)	0.0137 (2)	0.0113 (2)	−0.00006 (18)	0.00089 (18)	−0.00204 (18)

Geometric parameters (Å, º)

P1A—P1A^i	2.1808 (7)	K2—O2W	2.8566 (14)
P1A—O1A	1.5159 (7)	K2—O2W^v	2.7774 (10)
P1A—O2A	1.5174 (8)	K1—K1^iii	4.0885 (10)
P1A—O3A	1.5756 (7)	K1—K1^viii	4.0885 (10)
P1B—P1B^ii	2.1722 (7)	K1—K2	3.9899 (12)
P1B—O1B	1.5034 (7)	K2—K2^v	3.7084 (9)
P1B—O2B	1.5173 (7)	K2—K2^ix	3.7084 (9)
P1B—O3B	1.5942 (8)	K2—K2^x	4.7482 (13)
K1—O1A	2.9580 (12)	O1A—K1^viii	2.8312 (10)
K1—O3A	2.7810 (9)	O2A—K1^iv	2.9040 (10)
K1—O3B	2.8930 (10)	O3A—H3A	0.84
K1—O1A^iii	2.8312 (10)	O1B—K2^ix	2.8696 (11)
K1—O2A^iv	2.9040 (10)	O1B—K2^xi	2.8992 (9)
K1—O1W	2.8020 (12)	O2B—K2^xii	2.8238 (12)
K1—O1W^iii	2.8077 (10)	O2B—K2^ii	2.8944 (12)
K1—O2W	3.0167 (11)	O3B—H3B	0.84
K2—O3B	2.9247 (9)	O1W—K1^viii	2.8077 (10)
K2—O1B^v	2.8696 (11)	O1W—H1W	0.84
K2—O1B^vi	2.8992 (9)	O1W—H2W	0.84
K2—O2B^vii	2.8238 (12)	O2W—K2^ix	2.7774 (10)
K2—O2B^ii	2.8944 (12)	O2W—H3W	0.84
K2—O1W	3.0731 (10)	O2W—H4W	0.84
O1A—P1A—O2A	116.65 (3)	O2B^ii—K2—O1B^vi	129.86 (3)
O1A—P1A—O3A	106.37 (4)	O2W^v—K2—O3B	134.05 (2)
O2A—P1A—O3A	112.48 (4)	O2B^vii—K2—O3B	125.94 (2)
O1A—P1A—P1A^i	108.41 (3)	O2W—K2—O3B	76.76 (2)
O2A—P1A—P1A^i	108.06 (4)	O1B^v—K2—O3B	128.53 (2)
O3A—P1A—P1A^i	104.10 (3)	O2B^ii—K2—O3B	70.84 (2)
O1B—P1B—O2B	117.72 (4)	O1B^vi—K2—O3B	103.75 (3)
O1B—P1B—O3B	108.57 (4)	O2W^v—K2—O1W	72.98 (3)
O2B—P1B—O3B	110.56 (4)	O2B^vii—K2—O1W	125.11 (2)
O1B—P1B—P1B^ii	108.83 (4)	O2W—K2—O1W	85.78 (2)
O2B—P1B—P1B^ii	106.63 (3)	O1B^v—K2—O1W	145.18 (2)
O3B—P1B—P1B^ii	103.57 (3)	O2B^ii—K2—O1W	139.668 (19)
O3A—K1—O1W	77.84 (3)	O1B^vi—K2—O1W	53.90 (3)
O3A—K1—O1W^iii	148.638 (18)	O3B—K2—O1W	69.91 (3)
O1W—K1—O1W^iii	100.92 (2)	O2W^v—K2—K2^v	49.76 (3)
O3A—K1—O1A^iii	92.00 (3)	O2B^vii—K2—K2^v	50.40 (3)
O1W—K1—O1A^iii	132.01 (3)	O2W—K2—K2^v	121.94 (3)
O1W^iii—K1—O1A^iii	65.23 (2)	O1B^v—K2—K2^v	77.64 (2)
O3A—K1—O3B	133.96 (2)	O2B^ii—K2—K2^v	121.63 (3)
O1W—K1—O3B	74.26 (4)	O1B^vi—K2—K2^v	49.65 (2)
O1W^iii—K1—O3B	73.32 (2)	O3B—K2—K2^v	153.275 (13)
O1A^iii—K1—O3B	133.70 (2)	O1W—K2—K2^v	91.24 (3)
O3A—K1—O2A^iv	78.65 (3)	O2W^v—K2—K2^ix	106.08 (3)
O1W—K1—O2A^iv	143.23 (2)	O2B^vii—K2—K2^ix	105.68 (3)
O1W^iii—K1—O2A^iv	113.76 (2)	O2W—K2—K2^ix	47.92 (2)
O1A^iii—K1—O2A^iv	76.53 (3)	O1B^v—K2—K2^ix	50.346 (13)
O3B—K1—O2A^iv	103.51 (4)	O2B^ii—K2—K2^ix	48.74 (3)
O3A—K1—O1A	50.98 (3)	O1B^vi—K2—K2^ix	176.944 (12)
O1W—K1—O1A	63.63 (3)	O3B—K2—K2^ix	78.53 (3)
O1W^iii—K1—O1A	99.90 (2)	O1W—K2—K2^ix	129.10 (3)
O1A^iii—K1—O1A	73.55 (2)	K2^v—K2—K2^ix	127.96 (2)
O3B—K1—O1A	135.36 (3)	P1A—O1A—K1^viii	146.90 (3)
O2A^iv—K1—O1A	118.82 (3)	P1A—O1A—K1	98.32 (3)
O3A—K1—O2W	68.23 (2)	K1^viii—O1A—K1	89.83 (3)
O1W—K1—O2W	87.829 (19)	P1A—O2A—K1^iv	114.92 (4)
O1W^iii—K1—O2W	143.04 (2)	P1A—O3A—K1	104.06 (4)
O1A^iii—K1—O2W	131.84 (2)	P1A—O3A—H3A	114.0 (9)
O3B—K1—O2W	74.779 (17)	K1—O3A—H3A	140.8 (9)
O2A^iv—K1—O2W	57.16 (2)	P1B—O1B—K2^ix	115.70 (3)
O1A—K1—O2W	115.916 (16)	P1B—O1B—K2^xi	141.03 (4)
O3A—K1—K2	87.05 (3)	K2^ix—O1B—K2^xi	80.01 (2)
O1W—K1—K2	50.15 (3)	P1B—O2B—K2^xii	115.50 (3)
O1W^iii—K1—K2	116.57 (2)	P1B—O2B—K2^ii	113.30 (3)
O1A^iii—K1—K2	177.359 (12)	K2^xii—O2B—K2^ii	80.85 (3)
O3B—K1—K2	47.03 (2)	P1B—O3B—K1	123.16 (4)
O2A^iv—K1—K2	100.86 (3)	P1B—O3B—K2	113.70 (3)
O1A—K1—K2	107.64 (2)	K1—O3B—K2	86.60 (3)
O2W—K1—K2	45.543 (17)	P1B—O3B—H3B	113.5 (9)
O3A—K1—K1^iii	132.56 (3)	K1—O3B—H3B	113.7 (10)
O1W—K1—K1^iii	143.979 (17)	K2—O3B—H3B	100.6 (9)
O1W^iii—K1—K1^iii	43.157 (19)	K1—O1W—K1^viii	93.58 (2)
O1A^iii—K1—K1^iii	46.34 (2)	K1—O1W—K2	85.42 (3)
O3B—K1—K1^iii	89.04 (3)	K1^viii—O1W—K2	161.76 (2)
O2A^iv—K1—K1^iii	71.11 (3)	K1—O1W—H1W	144.6 (10)
O1A—K1—K1^iii	116.44 (2)	K1^viii—O1W—H1W	112.0 (10)
O2W—K1—K1^iii	118.80 (2)	K2—O1W—H1W	62.5 (10)
K2—K1—K1^iii	133.39 (2)	K1—O1W—H2W	101.4 (10)
O2W^v—K2—O2B^vii	97.44 (3)	K1^viii—O1W—H2W	92.4 (10)
O2W^v—K2—O2W	74.40 (3)	K2—O1W—H2W	105.6 (10)
O2B^vii—K2—O2W	144.96 (2)	H1W—O1W—H2W	101.4 (14)
O2W^v—K2—O1B^v	74.78 (2)	K2^ix—O2W—K2	82.32 (3)
O2B^vii—K2—O1B^v	71.82 (2)	K2^ix—O2W—K1	127.76 (2)
O2W—K2—O1B^v	73.158 (17)	K2—O2W—K1	85.538 (19)
O2W^v—K2—O2B^ii	145.53 (2)	K2^ix—O2W—H3W	102.4 (10)
O2B^vii—K2—O2B^ii	73.27 (2)	K2—O2W—H3W	146.8 (10)
O2W—K2—O2B^ii	94.09 (3)	K1—O2W—H3W	65.4 (10)
O1B^v—K2—O2B^ii	70.785 (17)	K2^ix—O2W—H4W	113.4 (10)
O2W^v—K2—O1B^vi	73.87 (3)	K2—O2W—H4W	101.7 (10)
O2B^vii—K2—O1B^vi	71.36 (3)	K1—O2W—H4W	118.8 (10)
O2W—K2—O1B^vi	134.35 (3)	H3W—O2W—H4W	106.2 (14)
O1B^v—K2—O1B^vi	127.132 (18)
O1A—P1A—P1A^i—O2A^i	−52.71 (4)	O2B^vii—K2—O3B—P1B	70.24 (4)
O1A—P1A—P1A^i—O3A^i	67.06 (4)	O2W—K2—O3B—P1B	−80.02 (4)
O2A—P1A—P1A^i—O3A^i	−60.23 (4)	O1B^v—K2—O3B—P1B	−24.62 (4)
O1B—P1B—P1B^ii—O2B^ii	−52.06 (4)	O2B^ii—K2—O3B—P1B	19.15 (3)
O1B—P1B—P1B^ii—O3B^ii	64.63 (4)	O1B^vi—K2—O3B—P1B	146.99 (3)
O2B—P1B—P1B^ii—O3B^ii	−63.31 (4)	O1W—K2—O3B—P1B	−170.33 (3)
O2A—P1A—O1A—K1^viii	135.55 (6)	K2^v—K2—O3B—P1B	142.13 (2)
O3A—P1A—O1A—K1^viii	−98.05 (6)	K2^ix—K2—O3B—P1B	−30.92 (3)
P1A^i—P1A—O1A—K1^viii	13.37 (7)	O2W^v—K2—O3B—K1	−7.37 (3)
O2A—P1A—O1A—K1	−121.80 (4)	O2B^vii—K2—O3B—K1	−164.845 (17)
O3A—P1A—O1A—K1	4.59 (3)	O2W—K2—O3B—K1	44.90 (3)
P1A^i—P1A—O1A—K1	116.02 (3)	O1B^v—K2—O3B—K1	100.29 (4)
O3A—K1—O1A—P1A	−3.21 (2)	O2B^ii—K2—O3B—K1	144.07 (2)
O1W—K1—O1A—P1A	−98.89 (3)	O1B^vi—K2—O3B—K1	−88.09 (4)
O1W^iii—K1—O1A—P1A	163.74 (3)	O1W—K2—O3B—K1	−45.42 (2)
O1A^iii—K1—O1A—P1A	103.41 (3)	K2^v—K2—O3B—K1	−92.96 (4)
O3B—K1—O1A—P1A	−120.02 (3)	K2^ix—K2—O3B—K1	93.99 (3)
O2A^iv—K1—O1A—P1A	39.49 (3)	O3A—K1—O1W—K1^viii	−101.87 (3)
O2W—K1—O1A—P1A	−25.62 (3)	O1W^iii—K1—O1W—K1^viii	46.13 (3)
K2—K1—O1A—P1A	−74.12 (4)	O1A^iii—K1—O1W—K1^viii	−20.27 (3)
K1^iii—K1—O1A—P1A	121.49 (3)	O3B—K1—O1W—K1^viii	115.15 (2)
O3A—K1—O1A—K1^viii	144.59 (2)	O2A^iv—K1—O1W—K1^viii	−153.22 (2)
O1W—K1—O1A—K1^viii	48.91 (3)	O1A—K1—O1W—K1^viii	−49.597 (16)
O1W^iii—K1—O1A—K1^viii	−48.45 (2)	O2W—K1—O1W—K1^viii	−170.057 (18)
O1A^iii—K1—O1A—K1^viii	−108.79 (4)	K2—K1—O1W—K1^viii	161.74 (2)
O3B—K1—O1A—K1^viii	27.79 (3)	K1^iii—K1—O1W—K1^viii	49.79 (4)
O2A^iv—K1—O1A—K1^viii	−172.700 (15)	O3A—K1—O1W—K2	96.39 (3)
O2W—K1—O1A—K1^viii	122.18 (2)	O1W^iii—K1—O1W—K2	−115.61 (2)
P1A—K1—O1A—K1^viii	147.81 (3)	O1A^iii—K1—O1W—K2	177.995 (17)
P1A^iv—K1—O1A—K1^viii	−164.633 (12)	O3B—K1—O1W—K2	−46.590 (19)
K2—K1—O1A—K1^viii	73.68 (3)	O2A^iv—K1—O1W—K2	45.04 (4)
K1^iii—K1—O1A—K1^viii	−90.70 (3)	O1A—K1—O1W—K2	148.66 (2)
O1A—P1A—O2A—K1^iv	120.40 (4)	O2W—K1—O1W—K2	28.204 (17)
O3A—P1A—O2A—K1^iv	−2.89 (4)	K1^iii—K1—O1W—K2	−111.94 (3)
P1A^i—P1A—O2A—K1^iv	−117.23 (3)	O2W^v—K2—O1W—K1	−104.97 (3)
O1A—P1A—O3A—K1	−4.99 (3)	O2B^vii—K2—O1W—K1	167.879 (17)
O2A—P1A—O3A—K1	123.88 (3)	O2W—K2—O1W—K1	−30.01 (2)
P1A^i—P1A—O3A—K1	−119.39 (3)	O1B^v—K2—O1W—K1	−82.06 (4)
O1W—K1—O3A—P1A	68.94 (3)	O2B^ii—K2—O1W—K1	61.35 (3)
O1W^iii—K1—O3A—P1A	−22.13 (5)	O1B^vi—K2—O1W—K1	172.87 (2)
O1A^iii—K1—O3A—P1A	−63.71 (4)	O3B—K2—O1W—K1	47.43 (2)
O3B—K1—O3A—P1A	122.55 (3)	K2^v—K2—O1W—K1	−151.949 (15)
O2A^iv—K1—O3A—P1A	−139.54 (3)	K2^ix—K2—O1W—K1	−7.82 (2)
O1A—K1—O3A—P1A	3.15 (2)	O2W^v—K2—O1W—K1^viii	167.50 (8)
O2W—K1—O3A—P1A	161.48 (3)	O2B^vii—K2—O1W—K1^viii	80.35 (8)
P1A^iv—K1—O3A—P1A	−120.78 (3)	O2W—K2—O1W—K1^viii	−117.53 (8)
K2—K1—O3A—P1A	118.76 (3)	O1B^v—K2—O1W—K1^viii	−169.58 (6)
K1^iii—K1—O3A—P1A	−88.79 (3)	O2B^ii—K2—O1W—K1^viii	−26.18 (9)
O2B—P1B—O1B—K2^ix	155.10 (3)	O1B^vi—K2—O1W—K1^viii	85.34 (8)
O3B—P1B—O1B—K2^ix	−78.37 (4)	O3B—K2—O1W—K1^viii	−40.09 (7)
P1B^ii—P1B—O1B—K2^ix	33.72 (4)	K2^v—K2—O1W—K1^viii	120.53 (8)
K2^xii—P1B—O1B—K2^ix	127.49 (5)	K2^ix—K2—O1W—K1^viii	−95.34 (8)
K2^ii—P1B—O1B—K2^ix	111.64 (3)	O2W^v—K2—O2W—K2^ix	−129.76 (3)
K2—P1B—O1B—K2^ix	−36.90 (3)	O2B^vii—K2—O2W—K2^ix	−49.21 (3)
O2B—P1B—O1B—K2^xi	48.32 (6)	O1B^v—K2—O2W—K2^ix	−51.319 (17)
O3B—P1B—O1B—K2^xi	174.84 (4)	O2B^ii—K2—O2W—K2^ix	17.187 (17)
P1B^ii—P1B—O1B—K2^xi	−73.06 (5)	O1B^vi—K2—O2W—K2^ix	−177.199 (19)
O1B—P1B—O2B—K2^xii	−164.84 (3)	O3B—K2—O2W—K2^ix	86.40 (3)
O3B—P1B—O2B—K2^xii	69.61 (4)	O1W—K2—O2W—K2^ix	156.744 (17)
P1B^ii—P1B—O2B—K2^xii	−42.32 (4)	K2^v—K2—O2W—K2^ix	−114.43 (3)
O1B—P1B—O2B—K2^ii	−74.06 (4)	O2W^v—K2—O2W—K1	101.17 (2)
O3B—P1B—O2B—K2^ii	160.39 (3)	O2B^vii—K2—O2W—K1	−178.28 (2)
P1B^ii—P1B—O2B—K2^ii	48.46 (3)	O1B^v—K2—O2W—K1	179.611 (19)
O1B—P1B—O3B—K1	−29.83 (4)	O2B^ii—K2—O2W—K1	−111.883 (16)
O2B—P1B—O3B—K1	100.73 (3)	O1B^vi—K2—O2W—K1	53.73 (3)
P1B^ii—P1B—O3B—K1	−145.38 (3)	O3B—K2—O2W—K1	−42.67 (2)
O1B—P1B—O3B—K2	72.26 (4)	O1W—K2—O2W—K1	27.674 (17)
O2B—P1B—O3B—K2	−157.18 (3)	K2^v—K2—O2W—K1	116.50 (2)
P1B^ii—P1B—O3B—K2	−43.29 (3)	K2^ix—K2—O2W—K1	−129.07 (2)
O3A—K1—O3B—P1B	111.06 (4)	O3A—K1—O2W—K2^ix	174.98 (3)
O1W—K1—O3B—P1B	165.91 (4)	O1W—K1—O2W—K2^ix	−107.25 (4)
O1W^iii—K1—O3B—P1B	−87.24 (4)	O1W^iii—K1—O2W—K2^ix	−1.89 (4)
O1A^iii—K1—O3B—P1B	−60.26 (4)	O1A^iii—K1—O2W—K2^ix	102.86 (4)
O2A^iv—K1—O3B—P1B	23.89 (4)	O3B—K1—O2W—K2^ix	−32.97 (3)
O1A—K1—O3B—P1B	−174.49 (3)	O2A^iv—K1—O2W—K2^ix	84.66 (4)
O2W—K1—O3B—P1B	73.85 (3)	O1A—K1—O2W—K2^ix	−166.42 (2)
K2—K1—O3B—P1B	116.25 (4)	K2—K1—O2W—K2^ix	−76.70 (3)
K1^iii—K1—O3B—P1B	−46.41 (4)	K1^iii—K1—O2W—K2^ix	47.28 (4)
O3A—K1—O3B—K2	−5.18 (3)	O3A—K1—O2W—K2	−108.32 (3)
O1W—K1—O3B—K2	49.661 (19)	O1W—K1—O2W—K2	−30.55 (3)
O1W^iii—K1—O3B—K2	156.51 (2)	O1W^iii—K1—O2W—K2	74.81 (4)
O1A^iii—K1—O3B—K2	−176.510 (17)	O1A^iii—K1—O2W—K2	179.563 (18)
O2A^iv—K1—O3B—K2	−92.35 (3)	O3B—K1—O2W—K2	43.72 (3)
O1A—K1—O3B—K2	69.26 (3)	O2A^iv—K1—O2W—K2	161.36 (3)
O2W—K1—O3B—K2	−42.40 (2)	O1A—K1—O2W—K2	−89.72 (3)
K1^iii—K1—O3B—K2	−162.655 (11)	K1^iii—K1—O2W—K2	123.98 (3)
O2W^v—K2—O3B—P1B	−132.29 (4)

Symmetry codes: (i) −x+1, −y+1, −z; (ii) −x, −y+1, −z+1; (iii) x, −y+3/2, z+1/2; (iv) −x+1, −y+1, −z+1; (v) x, −y+1/2, z−1/2; (vi) x, y, z−1; (vii) −x, y−1/2, −z+1/2; (viii) x, −y+3/2, z−1/2; (ix) x, −y+1/2, z+1/2; (x) −x, −y+1, −z; (xi) x, y, z+1; (xii) −x, y+1/2, −z+1/2.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O3A—H3A···O1A^xiii	0.84	1.68	2.5184 (10)	177
O3B—H3B···O2B^viii	0.84	1.73	2.5704 (11)	174
O1W—H1W···O1B^vi	0.84	1.88	2.7113 (13)	169
O1W—H2W···O2A^i	0.84	2.07	2.8792 (12)	162
O2W—H3W···O2A^iv	0.84	2.00	2.8342 (12)	171
O2W—H4W···O2A^xiii	0.84	2.08	2.9158 (11)	174

Symmetry codes: (i) −x+1, −y+1, −z; (iv) −x+1, −y+1, −z+1; (vi) x, y, z−1; (viii) x, −y+3/2, z−1/2; (xiii) −x+1, y−1/2, −z+1/2.

(IV) Pentapotassium hydrogen hypodiphosphate dihydrogen hypodiphosphate dihydrate

Crystal data

5K^+·HO6P2^3^−·H2O6P2^2^−·2H2O	F(000) = 548
Mr = 550.44	Dx = 2.264 Mg m^−3
Monoclinic, P2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yc	Cell parameters from 10404 reflections
a = 10.208 (3) Å	θ = 4.6–38.5°
b = 6.875 (2) Å	µ = 1.82 mm^−1
c = 11.769 (3) Å	T = 120 K
β = 102.20 (4)°	Block, colourless
V = 807.3 (4) Å^3	0.24 × 0.14 × 0.04 mm
Z = 2

Data collection

Oxford Xcalibur PX κ-geometry diffractometer with an Onyx CCD camera	4415 independent reflections
Radiation source: Enhance (Mo) X-ray Source	3040 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.028
ω scans	θmax = 38.5°, θmin = 4.6°
Absorption correction: analytical (CrysAlis RED; Oxford Diffraction, 2009)	h = −17→17
Tmin = 0.669, Tmax = 0.923	k = −11→11
14707 measured reflections	l = −20→20

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.024	Hydrogen site location: difference Fourier map
wR(F^2) = 0.047	H atoms treated by a mixture of independent and constrained refinement
S = 1.08	w = 1/[σ^2(Fo^2) + (0.015P)^2] where P = (Fo^2 + 2Fc^2)/3
4415 reflections	(Δ/σ)max = 0.001
122 parameters	Δρmax = 0.56 e Å^−3
4 restraints	Δρmin = −0.55 e Å^−3

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
K1	0.80812 (3)	0.89602 (4)	0.56805 (2)	0.01475 (5)
K2	0.70594 (2)	0.52205 (3)	0.78201 (2)	0.01314 (5)
K3	0.5000	0.97013 (5)	0.2500	0.01381 (7)
P1A	0.96623 (3)	0.40139 (4)	0.56054 (2)	0.00826 (5)
O1A	1.08236 (8)	0.27067 (11)	0.61057 (7)	0.01292 (16)
O2A	0.84285 (8)	0.29513 (11)	0.49179 (6)	0.01182 (16)
O3A	0.92392 (8)	0.53548 (11)	0.65331 (6)	0.01045 (15)
H3A	0.977 (2)	0.526 (3)	0.7182 (12)	0.016*	0.50
P1B	0.50573 (3)	0.65796 (4)	0.49445 (2)	0.00861 (6)
O1B	0.52710 (9)	0.73446 (11)	0.61600 (7)	0.01826 (18)
O2B	0.60609 (8)	0.71178 (11)	0.42332 (7)	0.01505 (17)
O3B	0.36377 (8)	0.72051 (11)	0.41801 (7)	0.01140 (15)
H3B	0.2991 (9)	0.7116 (19)	0.4514 (11)	0.017*
O1W	0.80332 (19)	0.93834 (14)	0.79631 (8)	0.0194 (4)	0.937 (6)
O10W	0.872 (3)	0.919 (2)	0.8005 (13)	0.017 (4)*	0.063 (6)
H1W	0.8500 (14)	1.0376 (14)	0.8174 (13)	0.026*	0.937 (6)
H2W	0.8302 (16)	0.8656 (18)	0.8537 (8)	0.026*	0.937 (6)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
K1	0.02136 (13)	0.01127 (11)	0.01242 (11)	0.00072 (9)	0.00534 (10)	−0.00013 (8)
K2	0.01412 (12)	0.01387 (12)	0.01012 (10)	−0.00125 (9)	−0.00037 (9)	0.00124 (8)
K3	0.02220 (18)	0.00837 (15)	0.01081 (15)	0.000	0.00334 (13)	0.000
P1A	0.00894 (13)	0.00812 (12)	0.00781 (12)	0.00060 (10)	0.00200 (10)	0.00062 (9)
O1A	0.0137 (4)	0.0128 (4)	0.0123 (4)	0.0057 (3)	0.0030 (3)	0.0030 (3)
O2A	0.0109 (4)	0.0126 (4)	0.0122 (4)	−0.0026 (3)	0.0031 (3)	−0.0027 (3)
O3A	0.0122 (4)	0.0124 (4)	0.0065 (3)	0.0020 (3)	0.0014 (3)	−0.0006 (3)
P1B	0.00940 (13)	0.00784 (12)	0.00825 (12)	−0.00002 (10)	0.00109 (10)	0.00014 (9)
O1B	0.0272 (5)	0.0136 (4)	0.0111 (4)	0.0047 (3)	−0.0026 (3)	−0.0035 (3)
O2B	0.0121 (4)	0.0139 (4)	0.0207 (4)	0.0006 (3)	0.0069 (3)	0.0048 (3)
O3B	0.0088 (4)	0.0140 (4)	0.0113 (4)	0.0010 (3)	0.0021 (3)	0.0019 (3)
O1W	0.0317 (10)	0.0125 (5)	0.0119 (5)	−0.0061 (4)	−0.0001 (4)	−0.0003 (3)

Geometric parameters (Å, º)

P1A—P1A^i	2.1817 (7)	K1—K1^x	4.7548 (15)
P1A—O1A	1.5049 (9)	K1—K2	3.8922 (9)
P1A—O2A	1.5309 (10)	K1—K2^xi	4.3816 (10)
P1A—O3A	1.5581 (8)	K1—K3^iv	4.2628 (14)
P1B—P1B^ii	2.1805 (8)	K1—K3	4.380 (2)
P1B—O1B	1.4961 (9)	K2—K1^vii	4.3816 (10)
P1B—O2B	1.4999 (9)	K2—K2^viii	4.1117 (14)
P1B—O3B	1.5948 (11)	K2—K3^ii	3.9593 (10)
K1—O3A	2.8367 (11)	K2—K3^iv	4.0516 (10)
K1—O1B	3.2351 (13)	K3—K1^iv	4.2628 (14)
K1—O2B	2.6971 (13)	K3—K1^v	4.2628 (14)
K1—O1A^i	2.8241 (11)	K3—K1^ix	4.380 (2)
K1—O2A^iii	2.9317 (11)	K3—K2^ii	3.9593 (10)
K1—O3B^iv	3.1903 (11)	K3—K2^xi	3.9593 (10)
K1—O1W	2.7128 (12)	K3—K2^v	4.0516 (10)
K1—O1W^v	3.3854 (13)	K3—K2^iv	4.0516 (10)
K1—O10W	2.679 (15)	O1A—K1^i	2.8241 (11)
K1—O10W^vi	3.31 (2)	O1A—K2^vi	2.8462 (12)
K2—O3A	2.9459 (13)	O2A—K2^xi	2.8584 (13)
K2—O1B	2.7884 (13)	O2A—K1^xii	2.9317 (11)
K2—O1A^vi	2.8462 (12)	O3A—H3A	0.840 (2)
K2—O2A^vii	2.8584 (13)	O1B—K3^iv	2.6216 (10)
K2—O2B^vii	2.6656 (10)	O1B—K2^viii	3.2310 (13)
K2—O1B^viii	3.2310 (13)	O2B—K2^xi	2.6656 (10)
K2—O3B^ii	2.8496 (11)	O3B—K2^ii	2.8496 (10)
K2—O1W	3.0227 (13)	O3B—K1^iv	3.1903 (11)
K2—O10W	3.197 (18)	O3B—H3B	0.84
K3—O2B	2.7486 (11)	O1W—K3^iv	3.093 (2)
K3—O3B	3.1545 (11)	O1W—K1^xiii	3.3854 (13)
K3—O1B^iv	2.6216 (10)	O1W—H1W	0.84
K3—O1B^v	2.6216 (10)	O1W—H2W	0.84
K3—O2B^ix	2.7486 (11)	O10W—K1^vi	3.31 (2)
K3—O3B^ix	3.1545 (11)	O10W—H1W	0.88 (2)
K3—O1W^iv	3.093 (2)	O10W—H2W	0.91 (2)
K3—O1W^v	3.093 (2)
O1A—P1A—O2A	114.44 (5)	O2B—K3—O1W^v	77.17 (4)
O1A—P1A—O3A	113.04 (5)	O1W^iv—K3—O1W^v	156.52 (4)
O2A—P1A—O3A	109.50 (5)	O1B^iv—K3—O3B^ix	156.22 (3)
O1A—P1A—P1A^i	107.16 (4)	O1B^v—K3—O3B^ix	85.86 (3)
O2A—P1A—P1A^i	106.83 (4)	O2B^ix—K3—O3B^ix	48.70 (3)
O3A—P1A—P1A^i	105.23 (4)	O2B—K3—O3B^ix	87.53 (3)
O1B—P1B—O2B	117.92 (6)	O1W^iv—K3—O3B^ix	123.90 (3)
O1B—P1B—O3B	112.09 (6)	O1W^v—K3—O3B^ix	70.35 (3)
O2B—P1B—O3B	105.37 (5)	O1B^iv—K3—O3B	85.86 (3)
O1B—P1B—P1B^ii	106.96 (4)	O1B^v—K3—O3B	156.22 (3)
O2B—P1B—P1B^ii	109.32 (4)	O2B^ix—K3—O3B	87.53 (3)
O3B—P1B—P1B^ii	104.39 (4)	O2B—K3—O3B	48.70 (3)
O10W—K1—O2B	131.4 (5)	O1W^iv—K3—O3B	70.35 (3)
O10W—K1—O1W	15.1 (5)	O1W^v—K3—O3B	123.90 (3)
O2B—K1—O1W	120.29 (5)	O3B^ix—K3—O3B	114.08 (4)
O10W—K1—O1A^i	137.2 (5)	O1B^iv—K3—K2^ii	126.72 (3)
O2B—K1—O1A^i	73.11 (3)	O1B^v—K3—K2^ii	136.57 (3)
O1W—K1—O1A^i	150.86 (4)	O2B^ix—K3—K2^ii	42.19 (2)
O10W—K1—O3A	72.3 (4)	O2B—K3—K2^ii	68.68 (3)
O2B—K1—O3A	91.08 (4)	O1W^iv—K3—K2^ii	70.46 (2)
O1W—K1—O3A	80.61 (4)	O1W^v—K3—K2^ii	133.02 (2)
O1A^i—K1—O3A	73.01 (3)	O3B^ix—K3—K2^ii	76.76 (3)
O10W—K1—O2A^iii	103.8 (3)	O3B—K3—K2^ii	45.505 (19)
O2B—K1—O2A^iii	111.84 (3)	O1B^iv—K3—K2^xi	136.57 (3)
O1W—K1—O2A^iii	103.38 (3)	O1B^v—K3—K2^xi	126.72 (3)
O1A^i—K1—O2A^iii	93.40 (3)	O2B^ix—K3—K2^xi	68.68 (3)
O3A—K1—O2A^iii	149.07 (3)	O2B—K3—K2^xi	42.19 (2)
O10W—K1—O3B^iv	85.3 (5)	O1W^iv—K3—K2^xi	133.02 (2)
O2B—K1—O3B^iv	93.73 (3)	O1W^v—K3—K2^xi	70.46 (2)
O1W—K1—O3B^iv	74.65 (4)	O3B^ix—K3—K2^xi	45.505 (19)
O1A^i—K1—O3B^iv	133.01 (3)	O3B—K3—K2^xi	76.76 (3)
O3A—K1—O3B^iv	153.70 (2)	K2^ii—K3—K2^xi	62.56 (2)
O2A^iii—K1—O3B^iv	49.14 (3)	P1A—O1A—K1^i	110.74 (5)
O10W—K1—O1B	82.9 (5)	P1A—O1A—K2^vi	105.82 (5)
O2B—K1—O1B	50.28 (3)	K1^i—O1A—K2^vi	101.20 (3)
O1W—K1—O1B	70.24 (5)	P1A—O2A—K2^xi	116.37 (5)
O1A^i—K1—O1B	119.71 (3)	P1A—O2A—K1^xii	115.09 (4)
O3A—K1—O1B	87.53 (3)	K2^xi—O2A—K1^xii	127.40 (3)
O2A^iii—K1—O1B	122.95 (2)	P1A—O3A—K1	115.19 (4)
O3B^iv—K1—O1B	75.94 (3)	P1A—O3A—K2	133.87 (4)
O10W—K1—O10W^vi	61.0 (8)	K1—O3A—K2	84.59 (2)
O2B—K1—O10W^vi	149.9 (3)	P1A—O3A—H3A	111.9 (18)
O1W—K1—O10W^vi	75.7 (3)	K1—O3A—H3A	121.8 (15)
O1A^i—K1—O10W^vi	82.0 (3)	K2—O3A—H3A	87 (2)
O3A—K1—O10W^vi	65.2 (3)	P1B—O1B—K3^iv	146.60 (5)
O2A^iii—K1—O10W^vi	85.8 (3)	P1B—O1B—K2	115.30 (5)
O3B^iv—K1—O10W^vi	115.8 (3)	K3^iv—O1B—K2	96.94 (3)
O1B—K1—O10W^vi	139.3 (3)	P1B—O1B—K2^viii	103.08 (5)
O10W—K1—O1W^v	153.7 (4)	K3^iv—O1B—K2^viii	86.97 (3)
O2B—K1—O1W^v	72.83 (4)	K2—O1B—K2^viii	85.84 (3)
O1W—K1—O1W^v	154.121 (16)	P1B—O1B—K1	84.80 (5)
O1A^i—K1—O1W^v	50.38 (3)	K3^iv—O1B—K1	92.81 (3)
O3A—K1—O1W^v	123.36 (3)	K2—O1B—K1	80.13 (3)
O2A^iii—K1—O1W^v	51.28 (2)	K2^viii—O1B—K1	165.84 (3)
O3B^iv—K1—O1W^v	82.66 (3)	P1B—O2B—K2^xi	126.57 (5)
O1B—K1—O1W^v	116.35 (5)	P1B—O2B—K1	106.54 (5)
O10W^vi—K1—O1W^v	104.0 (3)	K2^xi—O2B—K1	109.58 (3)
O2B^vii—K2—O1B	118.23 (3)	P1B—O2B—K3	111.42 (4)
O2B^vii—K2—O1A^vi	73.21 (3)	K2^xi—O2B—K3	93.98 (3)
O1B—K2—O1A^vi	162.27 (3)	K1—O2B—K3	107.10 (4)
O2B^vii—K2—O3B^ii	95.79 (3)	P1B—O3B—K2^ii	110.29 (5)
O1B—K2—O3B^ii	73.47 (4)	P1B—O3B—K3	91.83 (4)
O1A^vi—K2—O3B^ii	92.59 (4)	K2^ii—O3B—K3	82.35 (3)
O2B^vii—K2—O2A^vii	84.72 (3)	P1B—O3B—K1^iv	129.63 (4)
O1B—K2—O2A^vii	120.21 (4)	K2^ii—O3B—K1^iv	118.82 (4)
O1A^vi—K2—O2A^vii	72.34 (4)	K3—O3B—K1^iv	84.42 (3)
O3B^ii—K2—O2A^vii	164.15 (2)	P1B—O3B—H3B	115.3 (10)
O2B^vii—K2—O3A	140.32 (3)	K2^ii—O3B—H3B	105.1 (9)
O1B—K2—O3A	94.42 (3)	K3—O3B—H3B	145.9 (9)
O1A^vi—K2—O3A	70.27 (3)	K1^iv—O3B—H3B	62.7 (9)
O3B^ii—K2—O3A	71.19 (3)	O10W—O1W—K1	79.8 (13)
O2A^vii—K2—O3A	98.38 (3)	O10W—O1W—K2	97.8 (13)
O2B^vii—K2—O1W	134.50 (3)	K1—O1W—K2	85.29 (3)
O1B—K2—O1W	72.67 (4)	O10W—O1W—K3^iv	173.9 (13)
O1A^vi—K2—O1W	109.90 (4)	K1—O1W—K3^iv	94.26 (6)
O3B^ii—K2—O1W	128.45 (3)	K2—O1W—K3^iv	82.97 (4)
O2A^vii—K2—O1W	55.98 (3)	O10W—O1W—K1^xiii	100.5 (13)
O3A—K2—O1W	73.96 (4)	K1—O1W—K1^xiii	166.38 (3)
O2B^vii—K2—O10W	137.7 (3)	K2—O1W—K1^xiii	108.06 (3)
O1B—K2—O10W	82.0 (4)	K3^iv—O1W—K1^xiii	84.96 (6)
O1A^vi—K2—O10W	98.4 (4)	O10W—O1W—H1W	68.8 (15)
O3B^ii—K2—O10W	126.3 (3)	K1—O1W—H1W	104.6 (11)
O2A^vii—K2—O10W	53.9 (3)	K2—O1W—H1W	161.0 (11)
O3A—K2—O10W	63.9 (4)	K3^iv—O1W—H1W	111.8 (12)
O1W—K2—O10W	12.7 (4)	K1^xiii—O1W—H1W	63.5 (11)
O2B^vii—K2—O1B^viii	68.42 (3)	O10W—O1W—H2W	71.4 (15)
O1B—K2—O1B^viii	66.37 (3)	K1—O1W—H2W	131.5 (10)
O1A^vi—K2—O1B^viii	131.22 (3)	K2—O1W—H2W	61.8 (11)
O3B^ii—K2—O1B^viii	119.77 (3)	K3^iv—O1W—H2W	114.1 (11)
O2A^vii—K2—O1B^viii	75.19 (3)	K1^xiii—O1W—H2W	60.2 (10)
O3A—K2—O1B^viii	150.72 (2)	H1W—O1W—H2W	100.3 (15)
O1W—K2—O1B^viii	79.08 (4)	O1W—O10W—K1	85.1 (14)
O10W—K2—O1B^viii	90.7 (4)	O1W—O10W—K2	69.5 (13)
O1B^iv—K3—O1B^v	78.44 (4)	K1—O10W—K2	82.4 (4)
O1B^iv—K3—O2B^ix	150.69 (3)	O1W—O10W—K1^vi	155.5 (15)
O1B^v—K3—O2B^ix	97.43 (3)	K1—O10W—K1^vi	118.7 (8)
O1B^iv—K3—O2B	97.43 (3)	K2—O10W—K1^vi	116.7 (6)
O1B^v—K3—O2B	150.69 (3)	O1W—O10W—H1W	62.6 (16)
O2B^ix—K3—O2B	99.49 (5)	K1—O10W—H1W	105.4 (16)
O1B^iv—K3—O1W^iv	73.71 (4)	K2—O10W—H1W	130 (2)
O1B^v—K3—O1W^iv	88.01 (4)	K1^vi—O10W—H1W	102.4 (17)
O2B^ix—K3—O1W^iv	77.17 (4)	O1W—O10W—H2W	60.9 (16)
O2B—K3—O1W^iv	119.01 (4)	K1—O10W—H2W	129.1 (18)
O1B^iv—K3—O1W^v	88.01 (4)	K2—O10W—H2W	51.7 (13)
O1B^v—K3—O1W^v	73.71 (4)	K1^vi—O10W—H2W	102.9 (16)
O2B^ix—K3—O1W^v	119.01 (4)	H1W—O10W—H2W	92 (2)
O1A—P1A—P1A^i—O2A^i	−56.91 (6)	O1W^v—K3—O2B—P1B	153.07 (5)
O1A—P1A—P1A^i—O3A^i	59.43 (6)	O3B^ix—K3—O2B—P1B	−136.53 (5)
O2A—P1A—P1A^i—O3A^i	−63.65 (5)	O3B—K3—O2B—P1B	−10.97 (3)
O1B—P1B—P1B^ii—O2B^ii	51.28 (6)	K2^ii—K3—O2B—P1B	−59.78 (4)
O1B—P1B—P1B^ii—O3B^ii	−61.04 (6)	K2^xi—K3—O2B—P1B	−131.97 (6)
O2B—P1B—P1B^ii—O3B^ii	67.68 (5)	O1B^iv—K3—O2B—K2^xi	−161.20 (3)
O2A—P1A—O1A—K1^i	67.72 (5)	O1B^v—K3—O2B—K2^xi	−81.59 (6)
O3A—P1A—O1A—K1^i	−166.00 (4)	O2B^ix—K3—O2B—K2^xi	42.837 (19)
P1A^i—P1A—O1A—K1^i	−50.53 (5)	O1W^iv—K3—O2B—K2^xi	123.35 (4)
O2A—P1A—O1A—K2^vi	176.57 (3)	O1W^v—K3—O2B—K2^xi	−74.95 (4)
O3A—P1A—O1A—K2^vi	−57.15 (5)	O3B^ix—K3—O2B—K2^xi	−4.55 (2)
P1A^i—P1A—O1A—K2^vi	58.32 (4)	O3B—K3—O2B—K2^xi	121.01 (4)
O1A—P1A—O2A—K2^xi	−139.23 (4)	K2^ii—K3—O2B—K2^xi	72.19 (3)
O3A—P1A—O2A—K2^xi	92.68 (5)	O1B^iv—K3—O2B—K1	−49.31 (4)
P1A^i—P1A—O2A—K2^xi	−20.79 (5)	O1B^v—K3—O2B—K1	30.30 (7)
O1A—P1A—O2A—K1^xii	29.45 (6)	O2B^ix—K3—O2B—K1	154.73 (4)
O3A—P1A—O2A—K1^xii	−98.64 (5)	O1W^iv—K3—O2B—K1	−124.76 (3)
P1A^i—P1A—O2A—K1^xii	147.89 (3)	O1W^v—K3—O2B—K1	36.93 (3)
O1A—P1A—O3A—K1	151.04 (4)	O3B^ix—K3—O2B—K1	107.33 (3)
O2A—P1A—O3A—K1	−80.09 (6)	O3B—K3—O2B—K1	−127.10 (4)
P1A^i—P1A—O3A—K1	34.42 (5)	K2^ii—K3—O2B—K1	−175.92 (3)
O1A—P1A—O3A—K2	−101.04 (6)	K2^xi—K3—O2B—K1	111.89 (4)
O2A—P1A—O3A—K2	27.83 (7)	O1B—P1B—O3B—K2^ii	−161.79 (4)
P1A^i—P1A—O3A—K2	142.34 (5)	O2B—P1B—O3B—K2^ii	68.75 (5)
O10W—K1—O3A—P1A	−165.6 (5)	P1B^ii—P1B—O3B—K2^ii	−46.38 (4)
O2B—K1—O3A—P1A	60.88 (5)	O1B—P1B—O3B—K3	115.69 (5)
O1W—K1—O3A—P1A	−178.58 (6)	O2B—P1B—O3B—K3	−13.76 (4)
O1A^i—K1—O3A—P1A	−11.08 (4)	P1B^ii—P1B—O3B—K3	−128.89 (2)
O2A^iii—K1—O3A—P1A	−78.18 (7)	O1B—P1B—O3B—K1^iv	31.42 (7)
O3B^iv—K1—O3A—P1A	161.55 (4)	O2B—P1B—O3B—K1^iv	−98.03 (5)
O1B—K1—O3A—P1A	111.05 (5)	P1B^ii—P1B—O3B—K1^iv	146.84 (4)
O10W^vi—K1—O3A—P1A	−100.0 (3)	O1B^iv—K3—O3B—P1B	−94.06 (4)
O1W^v—K1—O3A—P1A	−9.18 (6)	O1B^v—K3—O3B—P1B	−142.60 (5)
P1B—K1—O3A—P1A	85.35 (5)	O2B^ix—K3—O3B—P1B	114.52 (4)
P1A^i—K1—O3A—P1A	−24.04 (3)	O2B—K3—O3B—P1B	9.59 (3)
O10W—K1—O3A—K2	58.0 (5)	O1W^iv—K3—O3B—P1B	−168.23 (4)
O2B—K1—O3A—K2	−75.57 (3)	O1W^v—K3—O3B—P1B	−9.25 (4)
O1W—K1—O3A—K2	44.97 (4)	O3B^ix—K3—O3B—P1B	72.49 (3)
O1A^i—K1—O3A—K2	−147.53 (3)	K2^ii—K3—O3B—P1B	110.23 (5)
O2A^iii—K1—O3A—K2	145.37 (4)	K2^xi—K3—O3B—P1B	45.85 (3)
O3B^iv—K1—O3A—K2	25.10 (6)	O1B^iv—K3—O3B—K2^ii	155.71 (3)
O1B—K1—O3A—K2	−25.40 (2)	O1B^v—K3—O3B—K2^ii	107.17 (6)
O10W^vi—K1—O3A—K2	123.5 (3)	O2B^ix—K3—O3B—K2^ii	4.29 (2)
O1W^v—K1—O3A—K2	−145.63 (4)	O2B—K3—O3B—K2^ii	−100.64 (4)
P1B—K1—O3A—K2	−51.10 (2)	O1W^iv—K3—O3B—K2^ii	81.54 (4)
P1A^i—K1—O3A—K2	−160.49 (3)	O1W^v—K3—O3B—K2^ii	−119.48 (4)
O2B^vii—K2—O3A—P1A	56.52 (8)	O3B^ix—K3—O3B—K2^ii	−37.735 (18)
O1B—K2—O3A—P1A	−90.22 (6)	K2^xi—K3—O3B—K2^ii	−64.38 (3)
O1A^vi—K2—O3A—P1A	80.60 (6)	O1B^iv—K3—O3B—K1^iv	35.59 (3)
O3B^ii—K2—O3A—P1A	−19.36 (5)	O1B^v—K3—O3B—K1^iv	−12.95 (7)
O2A^vii—K2—O3A—P1A	148.34 (5)	O2B^ix—K3—O3B—K1^iv	−115.83 (3)
O1W—K2—O3A—P1A	−160.76 (6)	O2B—K3—O3B—K1^iv	139.25 (4)
O10W—K2—O3A—P1A	−169.1 (4)	O1W^iv—K3—O3B—K1^iv	−38.58 (2)
O1B^viii—K2—O3A—P1A	−137.06 (6)	O1W^v—K3—O3B—K1^iv	120.40 (3)
O2B^vii—K2—O3A—K1	176.66 (3)	O3B^ix—K3—O3B—K1^iv	−157.85 (2)
O1B—K2—O3A—K1	29.91 (2)	K2^ii—K3—O3B—K1^iv	−120.12 (4)
O1A^vi—K2—O3A—K1	−159.27 (3)	K2^xi—K3—O3B—K1^iv	175.501 (17)
O3B^ii—K2—O3A—K1	100.77 (4)	O2B—K1—O1W—O10W	141.1 (13)
O2A^vii—K2—O3A—K1	−91.52 (3)	O1A^i—K1—O1W—O10W	30.2 (13)
O1W—K2—O3A—K1	−40.63 (3)	O3A—K1—O1W—O10W	55.4 (13)
O10W—K2—O3A—K1	−48.9 (4)	O2A^iii—K1—O1W—O10W	−93.3 (13)
O1B^viii—K2—O3A—K1	−16.93 (5)	O3B^iv—K1—O1W—O10W	−133.6 (13)
O10W—K1—P1B—O1B	18.7 (5)	O1B—K1—O1W—O10W	146.1 (13)
O2B—P1B—O1B—K3^iv	81.14 (11)	O10W^vi—K1—O1W—O10W	−11.2 (11)
O3B—P1B—O1B—K3^iv	−41.45 (11)	O1W^v—K1—O1W—O10W	−104.0 (13)
P1B^ii—P1B—O1B—K3^iv	−155.29 (8)	O10W—K1—O1W—K2	−98.8 (13)
O2B—P1B—O1B—K2	−82.59 (6)	O2B—K1—O1W—K2	42.25 (5)
O3B—P1B—O1B—K2	154.82 (4)	O1A^i—K1—O1W—K2	−68.65 (9)
P1B^ii—P1B—O1B—K2	40.98 (5)	O3A—K1—O1W—K2	−43.48 (4)
O2B—P1B—O1B—K2^viii	−174.16 (4)	O2A^iii—K1—O1W—K2	167.83 (3)
O3B—P1B—O1B—K2^viii	63.25 (5)	O3B^iv—K1—O1W—K2	127.54 (5)
P1B^ii—P1B—O1B—K2^viii	−50.59 (4)	O1B—K1—O1W—K2	47.27 (3)
O2B—P1B—O1B—K1	−6.08 (5)	O10W^vi—K1—O1W—K2	−110.1 (3)
O3B—P1B—O1B—K1	−128.67 (4)	O1W^v—K1—O1W—K2	157.15 (13)
P1B^ii—P1B—O1B—K1	117.49 (3)	O10W—K1—O1W—K3^iv	178.6 (13)
O2B^vii—K2—O1B—P1B	−103.41 (6)	O2B—K1—O1W—K3^iv	−40.32 (4)
O1A^vi—K2—O1B—P1B	23.64 (12)	O1A^i—K1—O1W—K3^iv	−151.22 (6)
O3B^ii—K2—O1B—P1B	−15.70 (5)	O3A—K1—O1W—K3^iv	−126.05 (3)
O2A^vii—K2—O1B—P1B	155.55 (4)	O2A^iii—K1—O1W—K3^iv	85.26 (3)
O3A—K2—O1B—P1B	53.18 (5)	O3B^iv—K1—O1W—K3^iv	44.97 (2)
O1W—K2—O1B—P1B	124.85 (6)	O1B—K1—O1W—K3^iv	−35.31 (3)
O10W—K2—O1B—P1B	116.0 (4)	O10W^vi—K1—O1W—K3^iv	167.4 (3)
O1B^viii—K2—O1B—P1B	−149.74 (6)	O1W^v—K1—O1W—K3^iv	74.57 (16)
O2B^vii—K2—O1B—K3^iv	85.53 (4)	O10W—K1—O1W—K1^xiii	92.4 (13)
O1A^vi—K2—O1B—K3^iv	−147.42 (7)	O2B—K1—O1W—K1^xiii	−126.5 (3)
O3B^ii—K2—O1B—K3^iv	173.24 (3)	O1A^i—K1—O1W—K1^xiii	122.6 (3)
O2A^vii—K2—O1B—K3^iv	−15.52 (4)	O3A—K1—O1W—K1^xiii	147.8 (3)
O3A—K2—O1B—K3^iv	−117.88 (3)	O2A^iii—K1—O1W—K1^xiii	−0.9 (3)
O1W—K2—O1B—K3^iv	−46.21 (4)	O3B^iv—K1—O1W—K1^xiii	−41.2 (3)
O10W—K2—O1B—K3^iv	−55.1 (4)	O1B—K1—O1W—K1^xiii	−121.5 (3)
O1B^viii—K2—O1B—K3^iv	39.20 (2)	O10W^vi—K1—O1W—K1^xiii	81.2 (5)
O2B^vii—K2—O1B—K2^viii	−0.90 (3)	O1W^v—K1—O1W—K1^xiii	−11.6 (5)
O1A^vi—K2—O1B—K2^viii	126.15 (8)	O2B^vii—K2—O1W—O10W	111.1 (13)
O3B^ii—K2—O1B—K2^viii	86.81 (3)	O1B—K2—O1W—O10W	−136.1 (13)
O2A^vii—K2—O1B—K2^viii	−101.94 (3)	O1A^vi—K2—O1W—O10W	25.4 (13)
O3A—K2—O1B—K2^viii	155.69 (2)	O3B^ii—K2—O1W—O10W	−85.1 (13)
O1W—K2—O1B—K2^viii	−132.64 (4)	O2A^vii—K2—O1W—O10W	76.0 (13)
O10W—K2—O1B—K2^viii	−141.5 (4)	O3A—K2—O1W—O10W	−36.1 (13)
O1B^viii—K2—O1B—K2^viii	−47.23 (3)	O1B^viii—K2—O1W—O10W	155.4 (13)
O2B^vii—K2—O1B—K1	177.19 (2)	O2B^vii—K2—O1W—K1	−169.98 (3)
O1A^vi—K2—O1B—K1	−55.76 (9)	O1B—K2—O1W—K1	−57.15 (4)
O3B^ii—K2—O1B—K1	−95.10 (3)	O1A^vi—K2—O1W—K1	104.32 (5)
O2A^vii—K2—O1B—K1	76.15 (3)	O3B^ii—K2—O1W—K1	−6.09 (7)
O3A—K2—O1B—K1	−26.22 (2)	O2A^vii—K2—O1W—K1	155.00 (7)
O1W—K2—O1B—K1	45.45 (3)	O3A—K2—O1W—K1	42.86 (4)
O10W—K2—O1B—K1	36.6 (4)	O10W—K2—O1W—K1	79.0 (13)
O1B^viii—K2—O1B—K1	130.87 (3)	O1B^viii—K2—O1W—K1	−125.60 (5)
O10W—K1—O1B—P1B	−162.1 (4)	O2B^vii—K2—O1W—K3^iv	−75.09 (6)
O2B—K1—O1B—P1B	3.88 (3)	O1B—K2—O1W—K3^iv	37.73 (3)
O1W—K1—O1B—P1B	−170.49 (5)	O1A^vi—K2—O1W—K3^iv	−160.79 (2)
O1A^i—K1—O1B—P1B	−20.77 (4)	O3B^ii—K2—O1W—K3^iv	88.79 (6)
O3A—K1—O1B—P1B	−89.58 (4)	O2A^vii—K2—O1W—K3^iv	−110.11 (5)
O2A^iii—K1—O1B—P1B	96.06 (4)	O3A—K2—O1W—K3^iv	137.74 (3)
O3B^iv—K1—O1B—P1B	111.05 (4)	O10W—K2—O1W—K3^iv	173.9 (13)
O10W^vi—K1—O1B—P1B	−135.5 (4)	O1B^viii—K2—O1W—K3^iv	−30.71 (2)
O1W^v—K1—O1B—P1B	36.77 (4)	O2B^vii—K2—O1W—K1^xiii	7.25 (8)
O10W—K1—O1B—K3^iv	51.3 (4)	O1B—K2—O1W—K1^xiii	120.07 (6)
O2B—K1—O1B—K3^iv	−142.72 (4)	O1A^vi—K2—O1W—K1^xiii	−78.45 (6)
O1W—K1—O1B—K3^iv	42.91 (3)	O3B^ii—K2—O1W—K1^xiii	171.13 (3)
O1A^i—K1—O1B—K3^iv	−167.37 (2)	O2A^vii—K2—O1W—K1^xiii	−27.77 (3)
O3A—K1—O1B—K3^iv	123.81 (3)	O3A—K2—O1W—K1^xiii	−139.92 (6)
O2A^iii—K1—O1B—K3^iv	−50.55 (4)	O10W—K2—O1W—K1^xiii	−103.8 (13)
O3B^iv—K1—O1B—K3^iv	−35.55 (3)	O1B^viii—K2—O1W—K1^xiii	51.63 (5)
O10W^vi—K1—O1B—K3^iv	77.9 (4)	K2—O1W—O10W—K1	83.7 (3)
O1W^v—K1—O1B—K3^iv	−109.83 (3)	K3^iv—O1W—O10W—K1	−13 (12)
O10W—K1—O1B—K2	−45.2 (4)	K1^xiii—O1W—O10W—K1	−166.15 (7)
O2B—K1—O1B—K2	120.71 (4)	K1—O1W—O10W—K2	−83.7 (3)
O1W—K1—O1B—K2	−53.66 (4)	K3^iv—O1W—O10W—K2	−97 (12)
O1A^i—K1—O1B—K2	96.07 (4)	K1^xiii—O1W—O10W—K2	110.1 (4)
O3A—K1—O1B—K2	27.25 (2)	K1—O1W—O10W—K1^vi	167 (4)
O2A^iii—K1—O1B—K2	−147.11 (2)	K2—O1W—O10W—K1^vi	−110 (3)
O3B^iv—K1—O1B—K2	−132.11 (2)	K3^iv—O1W—O10W—K1^vi	153 (9)
O10W^vi—K1—O1B—K2	−18.7 (4)	K1^xiii—O1W—O10W—K1^vi	1 (4)
O1W^v—K1—O1B—K2	153.61 (2)	O2B—K1—O10W—O1W	−46.3 (15)
O10W—K1—O1B—K2^viii	−37.4 (4)	O1A^i—K1—O10W—O1W	−158.9 (10)
O2B—K1—O1B—K2^viii	128.52 (12)	O3A—K1—O10W—O1W	−121.6 (13)
O1W—K1—O1B—K2^viii	−45.85 (12)	O2A^iii—K1—O10W—O1W	90.3 (13)
O1A^i—K1—O1B—K2^viii	103.88 (12)	O3B^iv—K1—O10W—O1W	44.5 (12)
O3A—K1—O1B—K2^viii	35.06 (11)	O1B—K1—O10W—O1W	−31.9 (12)
O2A^iii—K1—O1B—K2^viii	−139.30 (11)	O10W^vi—K1—O10W—O1W	167.5 (11)
O3B^iv—K1—O1B—K2^viii	−124.30 (12)	O1W^v—K1—O10W—O1W	107.3 (16)
O10W^vi—K1—O1B—K2^viii	−10.9 (4)	O2B—K1—O10W—K2	23.6 (8)
O1W^v—K1—O1B—K2^viii	161.42 (11)	O1W—K1—O10W—K2	69.9 (13)
O1B—P1B—O2B—K2^xi	138.54 (5)	O1A^i—K1—O10W—K2	−89.0 (6)
O3B—P1B—O2B—K2^xi	−95.51 (6)	O3A—K1—O10W—K2	−51.7 (3)
P1B^ii—P1B—O2B—K2^xi	16.16 (6)	O2A^iii—K1—O10W—K2	160.2 (2)
O1B—P1B—O2B—K1	7.58 (6)	O3B^iv—K1—O10W—K2	114.4 (4)
O3B—P1B—O2B—K1	133.53 (4)	O1B—K1—O10W—K2	38.0 (3)
P1B^ii—P1B—O2B—K1	−114.80 (3)	O10W^vi—K1—O10W—K2	−122.5 (4)
O1B—P1B—O2B—K3	−108.89 (6)	O1W^v—K1—O10W—K2	177.3 (8)
O3B—P1B—O2B—K3	17.05 (5)	O2B—K1—O10W—K1^vi	139.9 (4)
P1B^ii—P1B—O2B—K3	128.73 (3)	O1W—K1—O10W—K1^vi	−173.8 (18)
O10W—K1—O2B—P1B	14.7 (6)	O1A^i—K1—O10W—K1^vi	27.4 (8)
O1W—K1—O2B—P1B	2.12 (6)	O3A—K1—O10W—K1^vi	64.7 (5)
O1A^i—K1—O2B—P1B	153.73 (5)	O2A^iii—K1—O10W—K1^vi	−83.4 (5)
O3A—K1—O2B—P1B	81.86 (4)	O3B^iv—K1—O10W—K1^vi	−129.3 (5)
O2A^iii—K1—O2B—P1B	−119.41 (4)	O1B—K1—O10W—K1^vi	154.3 (5)
O3B^iv—K1—O2B—P1B	−72.27 (4)	O10W^vi—K1—O10W—K1^vi	−6.2 (6)
O1B—K1—O2B—P1B	−4.02 (3)	O1W^v—K1—O10W—K1^vi	−66.4 (14)
O10W^vi—K1—O2B—P1B	118.2 (6)	O2B^vii—K2—O10W—O1W	−81.8 (14)
O1W^v—K1—O2B—P1B	−153.40 (5)	O1B—K2—O10W—O1W	41.9 (12)
O10W—K1—O2B—K2^xi	−125.2 (6)	O1A^vi—K2—O10W—O1W	−156.0 (12)
O1W—K1—O2B—K2^xi	−137.81 (4)	O3B^ii—K2—O10W—O1W	104.5 (12)
O1A^i—K1—O2B—K2^xi	13.81 (3)	O2A^vii—K2—O10W—O1W	−95.1 (13)
O3A—K1—O2B—K2^xi	−58.07 (3)	O3A—K2—O10W—O1W	140.9 (14)
O2A^iii—K1—O2B—K2^xi	100.66 (4)	O1B^viii—K2—O10W—O1W	−24.1 (12)
O3B^iv—K1—O2B—K2^xi	147.80 (3)	O2B^vii—K2—O10W—K1	−169.41 (6)
O1B—K1—O2B—K2^xi	−143.95 (4)	O1B—K2—O10W—K1	−45.7 (4)
O10W^vi—K1—O2B—K2^xi	−21.8 (6)	O1A^vi—K2—O10W—K1	116.4 (5)
O1W^v—K1—O2B—K2^xi	66.67 (4)	O3B^ii—K2—O10W—K1	16.9 (8)
O10W—K1—O2B—K3	134.1 (6)	O2A^vii—K2—O10W—K1	177.3 (8)
O1W—K1—O2B—K3	121.45 (4)	O3A—K2—O10W—K1	53.3 (4)
O1A^i—K1—O2B—K3	−86.93 (3)	O1W—K2—O10W—K1	−87.6 (13)
O3A—K1—O2B—K3	−158.81 (3)	O1B^viii—K2—O10W—K1	−111.7 (5)
O2A^iii—K1—O2B—K3	−0.08 (3)	O2B^vii—K2—O10W—K1^vi	72.2 (9)
O3B^iv—K1—O2B—K3	47.06 (3)	O1B—K2—O10W—K1^vi	−164.0 (5)
O1B—K1—O2B—K3	115.31 (4)	O1A^vi—K2—O10W—K1^vi	−2.0 (5)
O10W^vi—K1—O2B—K3	−122.5 (6)	O3B^ii—K2—O10W—K1^vi	−101.4 (4)
O1W^v—K1—O2B—K3	−34.07 (3)	O2A^vii—K2—O10W—K1^vi	58.9 (4)
O1B^iv—K3—O2B—P1B	66.83 (5)	O3A—K2—O10W—K1^vi	−65.1 (5)
O1B^v—K3—O2B—P1B	146.44 (5)	O1W—K2—O10W—K1^vi	154.0 (17)
O2B^ix—K3—O2B—P1B	−89.14 (5)	O1B^viii—K2—O10W—K1^vi	129.9 (5)
O1W^iv—K3—O2B—P1B	−8.62 (6)

Symmetry codes: (i) −x+2, −y+1, −z+1; (ii) −x+1, −y+1, −z+1; (iii) x, y+1, z; (iv) −x+1, −y+2, −z+1; (v) x, −y+2, z−1/2; (vi) −x+2, y, −z+3/2; (vii) x, −y+1, z+1/2; (viii) −x+1, y, −z+3/2; (ix) −x+1, y, −z+1/2; (x) −x+2, −y+2, −z+1; (xi) x, −y+1, z−1/2; (xii) x, y−1, z; (xiii) x, −y+2, z+1/2.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O3A—H3A···O3A^vi	0.84	1.63	2.4695 (18)	173
O3B—H3B···O2A^ii	0.84	1.72	2.5562 (13)	174
O1W—H1W···O1A^xiv	0.84	1.88	2.6912 (14)	164
O1W—H2W···O2A^vii	0.84	1.95	2.7640 (13)	164

Symmetry codes: (ii) −x+1, −y+1, −z+1; (vi) −x+2, y, −z+3/2; (vii) x, −y+1, z+1/2; (xiv) −x+2, y+1, −z+3/2.

(V) Tripotassium hydrogen hypodiphosphate tetrahydrate

Crystal data

3K^+·HO6P2^3^−·4H2O	F(000) = 1408
Mr = 348.31	Dx = 2.097 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 15980 reflections
a = 9.743 (3) Å	θ = 4.3–38.6°
b = 15.725 (6) Å	µ = 1.56 mm^−1
c = 14.418 (6) Å	T = 120 K
β = 92.82 (4)°	Block, colourless
V = 2206.3 (14) Å^3	0.20 × 0.15 × 0.13 mm
Z = 8

Data collection

Oxford Xcalibur PX κ-geometry diffractometer with an Onyx CCD camera	10230 independent reflections
Radiation source: Enhance (Mo) X-ray Source	5268 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.038
ω scans	θmax = 38.6°, θmin = 4.3°
Absorption correction: analytical (CrysAlis RED; Oxford Diffraction, 2009)	h = −13→16
Tmin = 0.740, Tmax = 0.847	k = −20→27
35056 measured reflections	l = −25→25

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.030	Only H-atom coordinates refined
wR(F^2) = 0.046	w = 1/[σ^2(Fo^2) + (0.008P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 1.01	(Δ/σ)max = 0.001
10230 reflections	Δρmax = 0.52 e Å^−3
342 parameters	Δρmin = −0.58 e Å^−3
20 restraints	Extinction correction: SHELXL97 (Sheldrick, 2008), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.00172 (5)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
K1	0.52146 (4)	0.531578 (19)	0.38474 (3)	0.01473 (9)
K2	0.48419 (5)	0.537249 (19)	0.86683 (3)	0.01619 (8)
K3	0.33791 (5)	0.74629 (2)	0.45822 (3)	0.01516 (10)
K4	0.66754 (4)	0.74324 (2)	0.29185 (3)	0.01449 (10)
K5	0.99432 (5)	0.609381 (17)	0.37559 (3)	0.01614 (7)
K6	0.01232 (5)	0.608463 (19)	0.87322 (3)	0.02020 (8)
P1A	0.68446 (5)	0.80915 (3)	0.52440 (3)	0.00932 (9)
P2A	0.69833 (5)	0.67171 (3)	0.54402 (3)	0.00984 (9)
O1A	0.58257 (10)	0.82265 (6)	0.44387 (6)	0.0129 (2)
O2A	0.82835 (10)	0.84310 (6)	0.50977 (7)	0.0124 (2)
O3A	0.63012 (11)	0.84384 (6)	0.61706 (7)	0.0124 (2)
O4A	0.75901 (11)	0.63121 (6)	0.46017 (7)	0.0148 (2)
O5A	0.77743 (10)	0.65587 (6)	0.63683 (7)	0.0125 (2)
O6A	0.54648 (11)	0.64084 (6)	0.54989 (7)	0.0114 (2)
P1B	0.30606 (5)	0.67771 (3)	0.71479 (3)	0.00993 (10)
P2B	0.31979 (5)	0.81544 (3)	0.72333 (3)	0.01029 (9)
O1B	0.25288 (11)	0.64489 (6)	0.80453 (7)	0.0170 (3)
O2B	0.21999 (10)	0.65594 (6)	0.62693 (7)	0.0122 (2)
O3B	0.45706 (11)	0.64639 (6)	0.70607 (7)	0.0124 (2)
O4B	0.42282 (10)	0.83438 (6)	0.80192 (7)	0.0135 (2)
O5B	0.17710 (10)	0.85160 (6)	0.73404 (7)	0.0129 (2)
O6B	0.37397 (11)	0.84487 (6)	0.62744 (7)	0.0123 (2)
O1W	0.73045 (14)	0.54825 (8)	0.25297 (8)	0.0207 (3)
H1W	0.7190 (18)	0.5795 (8)	0.2060 (7)	0.031*
H2W	0.7827 (14)	0.5107 (8)	0.2330 (11)	0.031*
O2W	0.29340 (15)	0.47132 (8)	0.24072 (10)	0.0338 (4)
H3W	0.2452 (17)	0.5153 (7)	0.2438 (14)	0.051*
H4W	0.264 (2)	0.4346 (9)	0.2771 (11)	0.051*
O3W	0.25472 (14)	0.54537 (7)	0.48226 (8)	0.0233 (3)
H5W	0.2482 (19)	0.5744 (9)	0.5308 (7)	0.035*
H6W	0.2363 (18)	0.4948 (4)	0.4960 (12)	0.035*
O4W	0.29251 (15)	0.52545 (8)	0.99951 (9)	0.0292 (3)
H7W	0.284 (2)	0.5610 (9)	1.0423 (9)	0.044*
H8W	0.2385 (15)	0.4854 (8)	1.0100 (13)	0.044*
O5W	1.06221 (14)	0.74461 (6)	0.49587 (9)	0.0153 (3)
H9W	1.0966 (17)	0.7247 (10)	0.5458 (6)	0.023*
H10W	0.9880 (9)	0.7686 (9)	0.5076 (11)	0.023*
O6W	0.94372 (14)	0.74939 (6)	0.25562 (10)	0.0159 (3)
H11W	1.0149 (10)	0.7244 (9)	0.2396 (11)	0.024*
H12W	0.9078 (17)	0.7750 (9)	0.2095 (7)	0.024*
O7W	0.99641 (14)	0.44671 (8)	0.33041 (14)	0.0213 (6)	0.887 (5)
O70W	1.0029 (13)	0.4474 (7)	0.3980 (11)	0.026 (4)*	0.113 (5)
H13W	0.9277 (13)	0.4175 (11)	0.3432 (14)	0.039*	0.887 (5)
H14W	1.0685 (12)	0.4221 (12)	0.3503 (15)	0.039*	0.887 (5)
O8W	−0.0184 (5)	0.44269 (12)	0.8957 (3)	0.0296 (10)	0.830 (14)
O80W	0.0232 (13)	0.4427 (6)	0.8650 (9)	0.014 (3)*	0.170 (14)
H15W	−0.0673 (17)	0.4178 (11)	0.8544 (10)	0.020*	0.830 (14)
H16W	0.0449 (14)	0.4133 (10)	0.9211 (12)	0.020*	0.830 (14)
H3A	0.5483 (10)	0.8608 (19)	0.614 (2)	0.020*	0.50
H6B	0.4594 (5)	0.8379 (19)	0.633 (2)	0.020*	0.50
H6A	0.527 (3)	0.6294 (19)	0.6046 (8)	0.020*	0.50
H3B	0.487 (3)	0.6489 (19)	0.6526 (9)	0.020*	0.50

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
K1	0.0187 (2)	0.01193 (15)	0.01359 (18)	−0.00030 (15)	0.00069 (17)	0.00101 (14)
K2	0.0209 (2)	0.01555 (15)	0.01223 (17)	−0.00399 (16)	0.00156 (16)	−0.00063 (15)
K3	0.0093 (2)	0.0251 (2)	0.0111 (2)	−0.00117 (13)	0.00089 (18)	−0.00038 (13)
K4	0.0098 (2)	0.0219 (2)	0.0118 (2)	−0.00121 (14)	0.00146 (19)	−0.00179 (13)
K5	0.01644 (17)	0.01238 (15)	0.02019 (16)	0.00085 (17)	0.00703 (14)	0.00012 (17)
K6	0.0228 (2)	0.01344 (16)	0.02546 (17)	−0.00063 (17)	0.01247 (17)	−0.00141 (18)
P1A	0.0080 (2)	0.0111 (2)	0.00879 (19)	−0.00048 (17)	0.00047 (18)	0.00094 (16)
P2A	0.0084 (2)	0.0106 (2)	0.0105 (2)	−0.00129 (17)	0.00153 (18)	−0.00210 (15)
O1A	0.0118 (6)	0.0151 (6)	0.0117 (5)	0.0004 (4)	−0.0015 (5)	0.0008 (4)
O2A	0.0080 (6)	0.0144 (6)	0.0152 (5)	−0.0019 (4)	0.0021 (5)	0.0002 (4)
O3A	0.0095 (6)	0.0163 (6)	0.0113 (5)	0.0012 (5)	0.0011 (5)	−0.0008 (4)
O4A	0.0143 (6)	0.0152 (6)	0.0152 (6)	−0.0023 (4)	0.0055 (5)	−0.0054 (4)
O5A	0.0114 (6)	0.0125 (5)	0.0131 (5)	−0.0008 (4)	−0.0022 (5)	0.0015 (4)
O6A	0.0092 (6)	0.0151 (6)	0.0101 (5)	−0.0028 (4)	0.0013 (5)	−0.0011 (4)
P1B	0.0074 (2)	0.0133 (2)	0.0092 (2)	0.00045 (16)	0.00066 (18)	0.00162 (16)
P2B	0.0083 (2)	0.0121 (2)	0.0105 (2)	0.00065 (16)	0.00088 (18)	−0.00197 (16)
O1B	0.0132 (6)	0.0238 (6)	0.0144 (6)	0.0038 (5)	0.0044 (5)	0.0069 (4)
O2B	0.0115 (6)	0.0122 (5)	0.0125 (5)	0.0003 (4)	−0.0037 (5)	−0.0008 (4)
O3B	0.0088 (6)	0.0173 (6)	0.0113 (5)	0.0026 (4)	0.0031 (5)	0.0014 (4)
O4B	0.0105 (6)	0.0179 (6)	0.0120 (5)	0.0007 (4)	−0.0016 (5)	−0.0031 (4)
O5B	0.0109 (6)	0.0152 (6)	0.0128 (5)	0.0024 (4)	0.0011 (5)	−0.0021 (4)
O6B	0.0104 (6)	0.0162 (6)	0.0104 (5)	0.0004 (5)	0.0007 (5)	0.0019 (4)
O1W	0.0270 (8)	0.0216 (8)	0.0137 (6)	0.0061 (5)	0.0034 (6)	0.0008 (5)
O2W	0.0408 (9)	0.0220 (8)	0.0411 (9)	0.0157 (6)	0.0259 (7)	0.0166 (6)
O3W	0.0344 (8)	0.0159 (7)	0.0202 (7)	−0.0052 (6)	0.0067 (6)	−0.0042 (5)
O4W	0.0383 (9)	0.0282 (9)	0.0223 (7)	−0.0070 (6)	0.0125 (7)	−0.0020 (6)
O5W	0.0108 (8)	0.0200 (8)	0.0150 (7)	0.0041 (5)	0.0014 (7)	0.0034 (5)
O6W	0.0116 (8)	0.0190 (8)	0.0172 (7)	0.0043 (4)	0.0017 (7)	0.0051 (4)
O7W	0.0121 (8)	0.0128 (8)	0.0392 (13)	−0.0022 (5)	0.0013 (7)	0.0012 (6)
O8W	0.0352 (18)	0.0160 (9)	0.0352 (18)	0.0058 (8)	−0.0217 (16)	−0.0046 (8)

Geometric parameters (Å, º)

P1A—P2A	2.1830 (10)	K1—K4	3.8839 (13)
P1A—O1A	1.5051 (13)	K1—K5	4.7748 (15)
P1A—O2A	1.5245 (11)	K2—K1^i	3.7829 (16)
P1A—O3A	1.5596 (12)	K2—K2^v	4.0122 (17)
P2A—O4A	1.5123 (11)	K2—K3^iii	3.9418 (13)
P2A—O5A	1.5313 (12)	K2—K4^iii	4.0577 (13)
P2A—O6A	1.5633 (12)	K2—K6	4.7371 (15)
P1B—P2B	2.1729 (11)	K3—K2^ii	3.9418 (13)
P1B—O1B	1.5084 (12)	K3—K4	4.1022 (17)
P1B—O2B	1.5233 (12)	K3—K5^vi	4.1071 (13)
P1B—O3B	1.5623 (12)	K3—K6^ii	4.0495 (13)
P2B—O4B	1.5062 (12)	K4—K2^ii	4.0577 (13)
P2B—O5B	1.5169 (12)	K4—K5	3.9556 (13)
P2B—O6B	1.5736 (12)	K4—K6^vii	4.2085 (13)
K1—O4A	2.9573 (14)	K5—K3^viii	4.1071 (13)
K1—O6A	2.9367 (14)	K5—K5^ix	4.9675 (16)
K1—O6A^i	2.9561 (14)	K5—K6^vii	4.4406 (17)
K1—O3B^i	3.1011 (14)	K5—K6^i	4.9584 (15)
K1—O4B^ii	2.5844 (13)	K6—K3^iii	4.0495 (13)
K1—O1W	2.8644 (18)	K6—K4^x	4.2085 (13)
K1—O2W	3.113 (2)	K6—K5^x	4.4406 (17)
K1—O3W	3.0229 (18)	K6—K5^i	4.9584 (15)
K1—O3W^i	3.0798 (18)	O1A—K2^ii	2.6271 (13)
K2—O1B	2.9243 (14)	O2A—K6^vii	2.8313 (15)
K2—O3B	2.8858 (14)	O3A—K4^iii	2.8755 (14)
K2—O1A^iii	2.6271 (13)	O3A—K2^xii	3.2511 (15)
K2—O3A^iv	3.2511 (15)	O3A—H3A	0.84
K2—O6B^iv	3.3252 (15)	O5A—K4^iii	2.9823 (14)
K2—O4W	2.7447 (18)	O6A—K1^i	2.9561 (14)
K2—O1W^i	2.9680 (17)	O6A—H6A	0.84
K2—O2W^i	2.7292 (17)	O1B—K3^iii	2.8886 (14)
K2—O4W^v	3.0011 (19)	O3B—K4^iii	2.9151 (14)
K3—O1A	2.6860 (13)	O3B—K1^i	3.1011 (14)
K3—O6A	2.8917 (14)	O3B—H3B	0.84
K3—O2B	3.0872 (15)	O4B—K1^iii	2.5845 (13)
K3—O6B	2.8974 (14)	O4B—K4^iii	2.6888 (13)
K3—O1B^ii	2.8885 (14)	O4B—K3^iii	2.7487 (14)
K3—O4B^ii	2.7487 (14)	O5B—K5^x	2.8409 (16)
K3—O3W	3.2844 (17)	O6B—K2^xii	3.3251 (15)
K3—O5W^vi	2.7666 (17)	O6B—H6B	0.84
K4—O1A	2.6883 (14)	O1W—K2^i	2.9680 (17)
K4—O4A	3.0942 (15)	O1W—H1W	0.84
K4—O3A^ii	2.8755 (15)	O1W—H2W	0.84
K4—O5A^ii	2.9823 (14)	O2W—K2^i	2.7292 (17)
K4—O3B^ii	2.9151 (14)	O2W—H3W	0.84
K4—O4B^ii	2.6888 (13)	O2W—H4W	0.84
K4—O1W	3.1821 (17)	O3W—K5^vi	3.0710 (18)
K4—O6W	2.7678 (17)	O3W—K1^i	3.0798 (18)
K5—O4A	2.6714 (15)	O3W—H5W	0.84
K5—O5B^vii	2.8409 (15)	O3W—H6W	0.84
K5—O1W	3.1956 (19)	O4W—K2^v	3.001 (2)
K5—O5W	2.8025 (15)	O4W—H7W	0.84
K5—O6W	2.8282 (14)	O4W—H8W	0.84
K5—O7W	2.6400 (17)	O5W—K3^viii	2.7666 (17)
K5—O70W	2.569 (12)	O5W—K6^vii	2.9354 (14)
K5—O3W^viii	3.0709 (18)	O5W—H9W	0.84
K5—O70W^ix	3.382 (16)	O5W—H10W	0.84
K6—O1B	2.6515 (14)	O6W—K6^vii	2.8646 (15)
K6—O2A^x	2.8313 (15)	O6W—H11W	0.84
K6—O8W	2.646 (3)	O6W—H12W	0.84
K6—O5W^x	2.9354 (14)	O7W—K6^i	3.059 (2)
K6—O6W^x	2.8646 (15)	O7W—H13W	0.84
K6—O7W^i	3.059 (2)	O7W—H14W	0.84
K6—O8W^xi	3.426 (5)	O70W—K5^ix	3.382 (16)
K6—O80W	2.612 (10)	O8W—K6^xi	3.426 (5)
K1—K1^i	3.5134 (15)	O8W—H15W	0.84
K1—K2^i	3.7829 (16)	O8W—H16W	0.84
K1—K3	3.9884 (13)
O1A—P1A—O2A	114.83 (6)	O70W—K5—K6^vii	172.2 (3)
O1A—P1A—O3A	111.88 (7)	O7W—K5—K6^vii	164.90 (4)
O2A—P1A—O3A	110.44 (7)	O4A—K5—K6^vii	84.85 (2)
O1A—P1A—P2A	105.90 (4)	O5W—K5—K6^vii	40.39 (3)
O2A—P1A—P2A	108.25 (4)	O6W—K5—K6^vii	39.03 (3)
O3A—P1A—P2A	104.88 (5)	O5B^vii—K5—K6^vii	75.66 (2)
O4A—P2A—O5A	115.49 (7)	O3W^viii—K5—K6^vii	107.42 (3)
O4A—P2A—O6A	108.71 (7)	O1W—K5—K6^vii	109.11 (2)
O5A—P2A—O6A	109.82 (7)	O70W^ix—K5—K6^vii	105.8 (2)
O4A—P2A—P1A	109.72 (5)	K4—K5—K6^vii	59.832 (17)
O5A—P2A—P1A	107.43 (4)	K3^viii—K5—K6^vii	56.395 (15)
O6A—P2A—P1A	105.17 (4)	O80W—K6—O8W	13.4 (2)
O1B—P1B—O2B	115.98 (7)	O80W—K6—O1B	99.2 (3)
O1B—P1B—O3B	109.01 (7)	O8W—K6—O1B	111.47 (13)
O2B—P1B—O3B	110.14 (7)	O80W—K6—O2A^x	109.2 (4)
O1B—P1B—P2B	108.37 (5)	O8W—K6—O2A^x	95.77 (14)
O2B—P1B—P2B	107.52 (4)	O1B—K6—O2A^x	143.43 (4)
O3B—P1B—P2B	105.26 (5)	O80W—K6—O6W^x	139.5 (3)
O4B—P2B—O5B	115.44 (6)	O8W—K6—O6W^x	144.75 (6)
O4B—P2B—O6B	111.27 (7)	O1B—K6—O6W^x	78.18 (4)
O5B—P2B—O6B	109.14 (7)	O2A^x—K6—O6W^x	93.69 (4)
O4B—P2B—P1B	106.06 (4)	O80W—K6—O5W^x	143.8 (3)
O5B—P2B—P1B	108.98 (4)	O8W—K6—O5W^x	135.91 (10)
O6B—P2B—P1B	105.41 (4)	O1B—K6—O5W^x	86.09 (4)
O4B^ii—K1—O1W	83.06 (4)	O2A^x—K6—O5W^x	57.39 (4)
O4B^ii—K1—O6A	84.93 (4)	O6W^x—K6—O5W^x	76.66 (4)
O1W—K1—O6A	116.80 (4)	O80W—K6—O7W^i	70.9 (3)
O4B^ii—K1—O6A^i	144.22 (4)	O8W—K6—O7W^i	80.79 (11)
O1W—K1—O6A^i	118.23 (3)	O1B—K6—O7W^i	71.71 (5)
O6A—K1—O6A^i	106.80 (4)	O2A^x—K6—O7W^i	139.03 (4)
O4B^ii—K1—O4A	90.25 (4)	O6W^x—K6—O7W^i	70.03 (5)
O1W—K1—O4A	68.06 (4)	O5W^x—K6—O7W^i	142.89 (4)
O6A—K1—O4A	50.18 (4)	O80W—K6—O8W^xi	79.1 (3)
O6A^i—K1—O4A	123.51 (4)	O8W—K6—O8W^xi	69.28 (11)
O4B^ii—K1—O3W	81.24 (4)	O1B—K6—O8W^xi	116.15 (9)
O1W—K1—O3W	163.22 (4)	O2A^x—K6—O8W^xi	50.81 (8)
O6A—K1—O3W	67.66 (4)	O6W^x—K6—O8W^xi	138.71 (5)
O6A^i—K1—O3W	72.93 (3)	O5W^x—K6—O8W^xi	66.70 (5)
O4A—K1—O3W	117.78 (4)	O7W^i—K6—O8W^xi	149.93 (4)
O4B^ii—K1—O3W^i	147.56 (3)	O80W—K6—K3^iii	122.9 (2)
O1W—K1—O3W^i	86.81 (4)	O8W—K6—K3^iii	127.62 (6)
O6A—K1—O3W^i	72.36 (4)	O1B—K6—K3^iii	45.37 (3)
O6A^i—K1—O3W^i	66.67 (3)	O2A^x—K6—K3^iii	98.69 (3)
O4A—K1—O3W^i	57.44 (4)	O6W^x—K6—K3^iii	84.01 (4)
O3W—K1—O3W^i	109.71 (4)	O5W^x—K6—K3^iii	43.09 (3)
O4B^ii—K1—O3B^i	124.91 (4)	O7W^i—K6—K3^iii	115.78 (4)
O1W—K1—O3B^i	74.79 (3)	O8W^xi—K6—K3^iii	82.08 (7)
O6A—K1—O3B^i	149.96 (3)	O80W—K6—K4^x	125.0 (2)
O6A^i—K1—O3B^i	47.76 (3)	O8W—K6—K4^x	119.10 (8)
O4A—K1—O3B^i	124.44 (3)	O1B—K6—K4^x	118.97 (3)
O3W—K1—O3B^i	109.79 (3)	O2A^x—K6—K4^x	61.37 (3)
O3W^i—K1—O3B^i	81.25 (4)	O6W^x—K6—K4^x	40.79 (3)
O4B^ii—K1—O2W	72.73 (4)	O5W^x—K6—K4^x	80.68 (4)
O1W—K1—O2W	95.32 (5)	O7W^i—K6—K4^x	84.58 (4)
O6A—K1—O2W	138.32 (4)	O8W^xi—K6—K4^x	112.13 (8)
O6A^i—K1—O2W	76.69 (3)	K3^iii—K6—K4^x	111.99 (3)
O4A—K1—O2W	157.89 (3)	O80W—K6—K5^x	177.8 (3)
O3W—K1—O2W	74.35 (4)	O8W—K6—K5^x	168.18 (14)
O3W^i—K1—O2W	139.11 (4)	O1B—K6—K5^x	79.80 (2)
O3B^i—K1—O2W	60.30 (3)	O2A^x—K6—K5^x	72.50 (2)
O4B^ii—K1—K1^i	127.50 (3)	O6W^x—K6—K5^x	38.44 (3)
O1W—K1—K1^i	140.79 (4)	O5W^x—K6—K5^x	38.22 (3)
O6A—K1—K1^i	53.66 (3)	O7W^i—K6—K5^x	106.95 (3)
O6A^i—K1—K1^i	53.15 (2)	O8W^xi—K6—K5^x	103.06 (3)
O4A—K1—K1^i	85.95 (4)	K3^iii—K6—K5^x	57.641 (17)
O3W—K1—K1^i	55.61 (4)	K4^x—K6—K5^x	54.352 (15)
O3W^i—K1—K1^i	54.09 (4)	O80W—K6—K2	73.8 (3)
O3B^i—K1—K1^i	99.09 (3)	O8W—K6—K2	83.42 (11)
O2W—K1—K1^i	115.51 (4)	O1B—K6—K2	33.62 (3)
O4B^ii—K1—K2^i	78.63 (3)	O2A^x—K6—K2	136.50 (4)
O1W—K1—K2^i	50.77 (4)	O6W^x—K6—K2	111.80 (4)
O6A—K1—K2^i	160.31 (2)	O5W^x—K6—K2	93.77 (4)
O6A^i—K1—K2^i	92.89 (3)	O7W^i—K6—K2	84.00 (5)
O4A—K1—K2^i	118.58 (4)	O8W^xi—K6—K2	89.60 (9)
O3W—K1—K2^i	119.62 (4)	K3^iii—K6—K2	52.60 (2)
O3W^i—K1—K2^i	117.46 (4)	K4^x—K6—K2	152.585 (15)
O3B^i—K1—K2^i	48.328 (19)	K5^x—K6—K2	105.968 (10)
O2W—K1—K2^i	45.35 (3)	P1A—O1A—K2^ii	131.11 (6)
K1^i—K1—K2^i	146.03 (2)	P1A—O1A—K3	115.57 (6)
O1A^iii—K2—O2W^i	89.90 (4)	K2^ii—O1A—K3	95.78 (4)
O1A^iii—K2—O4W	90.49 (4)	P1A—O1A—K4	110.21 (6)
O2W^i—K2—O4W	168.27 (5)	K2^ii—O1A—K4	99.52 (4)
O1A^iii—K2—O3B	81.83 (4)	K3—O1A—K4	99.51 (5)
O2W^i—K2—O3B	67.48 (4)	P1A—O2A—K6^vii	143.94 (6)
O4W—K2—O3B	124.16 (4)	P1A—O3A—K4^iii	123.40 (6)
O1A^iii—K2—O1B	84.49 (4)	P1A—O3A—K2^xii	121.36 (5)
O2W^i—K2—O1B	118.39 (4)	K4^iii—O3A—K2^xii	114.33 (4)
O4W—K2—O1B	73.30 (4)	P1A—O3A—H3A	116 (2)
O3B—K2—O1B	50.97 (4)	K4^iii—O3A—H3A	106 (2)
O1A^iii—K2—O1W^i	149.08 (4)	K2^xii—O3A—H3A	52 (2)
O2W^i—K2—O1W^i	101.74 (5)	P2A—O4A—K5	142.85 (6)
O4W—K2—O1W^i	83.73 (5)	P2A—O4A—K1	100.81 (6)
O3B—K2—O1W^i	76.58 (5)	K5—O4A—K1	115.96 (4)
O1B—K2—O1W^i	64.73 (4)	P2A—O4A—K4	106.16 (6)
O1A^iii—K2—O4W^v	76.47 (4)	K5—O4A—K4	86.31 (4)
O2W^i—K2—O4W^v	77.17 (5)	K1—O4A—K4	79.82 (4)
O4W—K2—O4W^v	91.54 (5)	P2A—O5A—K4^iii	112.62 (5)
O3B—K2—O4W^v	138.25 (4)	P2A—O6A—K3	116.28 (5)
O1B—K2—O4W^v	155.61 (4)	P2A—O6A—K1	100.30 (6)
O1W^i—K2—O4W^v	133.84 (4)	K3—O6A—K1	86.36 (4)
O1A^iii—K2—O3A^iv	150.86 (3)	P2A—O6A—K1^i	121.96 (5)
O2W^i—K2—O3A^iv	106.19 (4)	K3—O6A—K1^i	120.55 (4)
O4W—K2—O3A^iv	68.88 (3)	K1—O6A—K1^i	73.20 (4)
O3B—K2—O3A^iv	126.55 (4)	P2A—O6A—H6A	112 (2)
O1B—K2—O3A^iv	107.57 (4)	K3—O6A—H6A	111 (2)
O1W^i—K2—O3A^iv	51.96 (3)	K1—O6A—H6A	129 (2)
O4W^v—K2—O3A^iv	83.51 (4)	K1^i—O6A—H6A	56 (2)
O1A^iii—K2—O6B^iv	127.58 (4)	P1B—O1B—K6	137.87 (7)
O2W^i—K2—O6B^iv	68.20 (3)	P1B—O1B—K3^iii	110.96 (6)
O4W—K2—O6B^iv	102.55 (4)	K6—O1B—K3^iii	93.84 (4)
O3B—K2—O6B^iv	125.63 (4)	P1B—O1B—K2	99.76 (6)
O1B—K2—O6B^iv	147.92 (3)	K6—O1B—K2	116.25 (4)
O1W^i—K2—O6B^iv	83.25 (4)	K3^iii—O1B—K2	85.39 (4)
O4W^v—K2—O6B^iv	52.98 (3)	P1B—O2B—K3	109.92 (6)
O3A^iv—K2—O6B^iv	44.81 (3)	P1B—O3B—K2	99.92 (6)
O1A^iii—K2—K1^i	129.28 (3)	P1B—O3B—K4^iii	115.07 (6)
O2W^i—K2—K1^i	54.24 (5)	K2—O3B—K4^iii	88.77 (4)
O4W—K2—K1^i	132.11 (4)	P1B—O3B—K1^i	113.69 (6)
O3B—K2—K1^i	53.39 (3)	K2—O3B—K1^i	78.29 (4)
O1B—K2—K1^i	84.06 (4)	K4^iii—O3B—K1^i	130.98 (4)
O1W^i—K2—K1^i	48.38 (4)	P1B—O3B—H3B	116 (2)
O4W^v—K2—K1^i	119.84 (4)	K2—O3B—H3B	138 (2)
O3A^iv—K2—K1^i	79.16 (3)	K4^iii—O3B—H3B	95 (2)
O6B^iv—K2—K1^i	75.52 (3)	K1^i—O3B—H3B	68 (2)
O1A—K3—O4B^ii	80.74 (4)	P2B—O4B—K1^iii	136.71 (6)
O1A—K3—O5W^vi	153.28 (3)	P2B—O4B—K4^iii	115.44 (6)
O4B^ii—K3—O5W^vi	119.39 (5)	K1^iii—O4B—K4^iii	94.85 (4)
O1A—K3—O1B^ii	84.16 (4)	P2B—O4B—K3^iii	108.01 (6)
O4B^ii—K3—O1B^ii	74.40 (4)	K1^iii—O4B—K3^iii	96.76 (4)
O5W^vi—K3—O1B^ii	84.93 (5)	K4^iii—O4B—K3^iii	97.94 (5)
O1A—K3—O6A	71.65 (4)	P2B—O5B—K5^x	139.83 (6)
O4B^ii—K3—O6A	82.93 (4)	P2B—O6B—K3	123.40 (6)
O5W^vi—K3—O6A	124.89 (4)	P2B—O6B—K2^xii	113.75 (5)
O1B^ii—K3—O6A	149.20 (4)	K3—O6B—K2^xii	122.73 (4)
O1A—K3—O6B	75.78 (4)	P2B—O6B—H6B	105 (2)
O4B^ii—K3—O6B	155.28 (4)	K3—O6B—H6B	95 (2)
O5W^vi—K3—O6B	85.33 (5)	K2^xii—O6B—H6B	73 (2)
O1B^ii—K3—O6B	110.33 (4)	K1—O1W—K2^i	80.85 (4)
O6A—K3—O6B	82.45 (4)	K1—O1W—K4	79.74 (3)
O1A—K3—O2B	129.23 (4)	K2^i—O1W—K4	113.75 (4)
O4B^ii—K3—O2B	124.91 (4)	K1—O1W—K5	103.85 (5)
O5W^vi—K3—O2B	55.84 (4)	K2^i—O1W—K5	169.38 (5)
O1B^ii—K3—O2B	140.65 (3)	K4—O1W—K5	76.67 (3)
O6A—K3—O2B	69.90 (4)	K1—O1W—H1W	121.2 (13)
O6B—K3—O2B	67.49 (4)	K2^i—O1W—H1W	74.5 (12)
O1A—K3—O3W	131.51 (3)	K4—O1W—H1W	63.9 (11)
O4B^ii—K3—O3W	74.24 (4)	K5—O1W—H1W	110.0 (12)
O5W^vi—K3—O3W	73.92 (3)	K1—O1W—H2W	128.8 (12)
O1B^ii—K3—O3W	126.00 (4)	K2^i—O1W—H2W	84.5 (12)
O6A—K3—O3W	64.64 (4)	K4—O1W—H2W	149.7 (12)
O6B—K3—O3W	116.50 (4)	K5—O1W—H2W	85.2 (12)
O2B—K3—O3W	51.01 (3)	H1W—O1W—H2W	101.1 (17)
O1A—K4—O4B^ii	81.80 (4)	K2^i—O2W—K1	80.41 (5)
O1A—K4—O6W	118.61 (5)	K2^i—O2W—H3W	122.2 (14)
O4B^ii—K4—O6W	154.02 (3)	K1—O2W—H3W	95.6 (14)
O1A—K4—O3A^ii	154.81 (4)	K2^i—O2W—H4W	128.7 (14)
O4B^ii—K4—O3A^ii	75.91 (4)	K1—O2W—H4W	92.6 (14)
O6W—K4—O3A^ii	86.20 (5)	H3W—O2W—H4W	109 (2)
O1A—K4—O3B^ii	80.27 (4)	K1—O3W—K5^vi	119.91 (5)
O4B^ii—K4—O3B^ii	71.70 (4)	K1—O3W—K1^i	70.29 (4)
O6W—K4—O3B^ii	124.70 (4)	K5^vi—O3W—K1^i	169.35 (5)
O3A^ii—K4—O3B^ii	81.69 (4)	K1—O3W—K3	78.32 (3)
O1A—K4—O5A^ii	120.01 (4)	K5^vi—O3W—K3	80.44 (3)
O4B^ii—K4—O5A^ii	129.34 (4)	K1^i—O3W—K3	105.83 (4)
O6W—K4—O5A^ii	56.76 (4)	K1—O3W—H5W	121.9 (13)
O3A^ii—K4—O5A^ii	68.36 (4)	K5^vi—O3W—H5W	98.3 (13)
O3B^ii—K4—O5A^ii	68.67 (4)	K1^i—O3W—H5W	77.0 (12)
O1A—K4—O4A	73.35 (4)	K3—O3W—H5W	66.1 (12)
O4B^ii—K4—O4A	85.48 (4)	K1—O3W—H6W	103.9 (13)
O6W—K4—O4A	85.57 (5)	K5^vi—O3W—H6W	104.3 (13)
O3A^ii—K4—O4A	115.81 (4)	K1^i—O3W—H6W	68.6 (12)
O3B^ii—K4—O4A	147.27 (3)	K3—O3W—H6W	172.4 (12)
O5A^ii—K4—O4A	142.23 (3)	H5W—O3W—H6W	106.9 (17)
O1A—K4—O1W	131.37 (3)	K2—O4W—K2^v	88.46 (5)
O4B^ii—K4—O1W	75.59 (4)	K2—O4W—H7W	124.0 (14)
O6W—K4—O1W	78.64 (3)	K2^v—O4W—H7W	80.7 (13)
O3A^ii—K4—O1W	53.41 (3)	K2—O4W—H8W	129.1 (14)
O3B^ii—K4—O1W	129.53 (4)	K2^v—O4W—H8W	94.5 (13)
O5A^ii—K4—O1W	107.53 (4)	H7W—O4W—H8W	106.5 (19)
O4A—K4—O1W	62.55 (3)	K3^viii—O5W—K5	95.03 (5)
O70W—K5—O7W	21.5 (3)	K3^viii—O5W—K6^vii	90.45 (4)
O70W—K5—O4A	95.4 (3)	K5—O5W—K6^vii	101.38 (5)
O7W—K5—O4A	104.73 (4)	K3^viii—O5W—H9W	79.7 (12)
O70W—K5—O5W	132.0 (4)	K5—O5W—H9W	108.7 (12)
O7W—K5—O5W	152.07 (5)	K6^vii—O5W—H9W	149.0 (12)
O4A—K5—O5W	78.57 (4)	K3^viii—O5W—H10W	152.7 (12)
O70W—K5—O6W	148.5 (4)	K5—O5W—H10W	106.6 (12)
O7W—K5—O6W	127.34 (6)	K6^vii—O5W—H10W	69.5 (11)
O4A—K5—O6W	92.95 (4)	H9W—O5W—H10W	107.8 (17)
O5W—K5—O6W	79.43 (4)	K4—O6W—K5	89.95 (5)
O70W—K5—O5B^vii	106.7 (3)	K4—O6W—K6^vii	96.68 (5)
O7W—K5—O5B^vii	91.11 (4)	K5—O6W—K6^vii	102.52 (6)
O4A—K5—O5B^vii	151.95 (4)	K4—O6W—H11W	149.3 (12)
O5W—K5—O5B^vii	98.25 (4)	K5—O6W—H11W	71.5 (12)
O6W—K5—O5B^vii	59.27 (4)	K6^vii—O6W—H11W	110.9 (12)
O70W—K5—O3W^viii	65.8 (3)	K4—O6W—H12W	78.2 (13)
O7W—K5—O3W^viii	77.87 (5)	K5—O6W—H12W	155.8 (12)
O4A—K5—O3W^viii	121.33 (4)	K6^vii—O6W—H12W	99.8 (12)
O5W—K5—O3W^viii	76.99 (4)	H11W—O6W—H12W	108.9 (17)
O6W—K5—O3W^viii	132.56 (4)	O70W—O7W—K5	75.2 (7)
O5B^vii—K5—O3W^viii	84.20 (4)	O70W—O7W—K6^i	164.0 (7)
O70W—K5—O1W	78.0 (3)	K5—O7W—K6^i	120.77 (6)
O7W—K5—O1W	65.65 (4)	O70W—O7W—H13W	78.4 (15)
O4A—K5—O1W	66.80 (4)	K5—O7W—H13W	117.4 (14)
O5W—K5—O1W	136.85 (4)	K6^i—O7W—H13W	94.0 (15)
O6W—K5—O1W	77.56 (5)	O70W—O7W—H14W	69.5 (15)
O5B^vii—K5—O1W	100.55 (4)	K5—O7W—H14W	112.2 (14)
O3W^viii—K5—O1W	143.20 (3)	K6^i—O7W—H14W	100.4 (15)
O70W—K5—O70W^ix	67.6 (5)	H13W—O7W—H14W	109.5 (19)
O7W—K5—O70W^ix	89.0 (2)	O7W—O70W—K5	83.3 (8)
O4A—K5—O70W^ix	63.9 (2)	O7W—O70W—K5^ix	163.8 (9)
O5W—K5—O70W^ix	67.2 (2)	K5—O70W—K5^ix	112.4 (5)
O6W—K5—O70W^ix	142.0 (2)	O7W—O70W—H13W	45.6 (8)
O5B^vii—K5—O70W^ix	140.8 (2)	K5—O70W—H13W	107.6 (12)
O3W^viii—K5—O70W^ix	57.5 (2)	K5^ix—O70W—H13W	122.0 (10)
O1W—K5—O70W^ix	115.0 (2)	O7W—O70W—H14W	49.2 (8)
O70W—K5—K4	125.9 (3)	K5—O70W—H14W	108.2 (14)
O7W—K5—K4	117.14 (4)	K5^ix—O70W—H14W	124.2 (12)
O4A—K5—K4	51.32 (3)	H13W—O70W—H14W	77.3 (14)
O5W—K5—K4	86.96 (4)	O80W—O8W—K6	80.2 (11)
O6W—K5—K4	44.40 (3)	O80W—O8W—K6^xi	136.0 (10)
O5B^vii—K5—K4	100.91 (3)	K6—O8W—K6^xi	110.72 (11)
O3W^viii—K5—K4	163.74 (3)	O80W—O8W—H15W	82.0 (16)
O1W—K5—K4	51.51 (3)	K6—O8W—H15W	115.8 (13)
O70W^ix—K5—K4	113.8 (2)	K6^xi—O8W—H15W	124.2 (14)
O70W—K5—K3^viii	117.5 (3)	O80W—O8W—H16W	79.5 (15)
O7W—K5—K3^viii	124.29 (4)	K6—O8W—H16W	120.6 (14)
O4A—K5—K3^viii	120.39 (3)	K6^xi—O8W—H16W	58.0 (14)
O5W—K5—K3^viii	42.15 (3)	H15W—O8W—H16W	115.5 (18)
O6W—K5—K3^viii	83.36 (4)	O8W—O80W—K6	86.4 (11)
O5B^vii—K5—K3^viii	64.18 (3)	O8W—O80W—H15W	59.1 (12)
O3W^viii—K5—K3^viii	52.05 (3)	K6—O80W—H15W	111.8 (14)
O1W—K5—K3^viii	160.09 (3)	O8W—O80W—H16W	60.8 (13)
O70W^ix—K5—K3^viii	83.7 (2)	K6—O80W—H16W	117.1 (15)
K4—K5—K3^viii	116.23 (3)	H15W—O80W—H16W	95.8 (17)
O1A—P1A—P2A—O4A	65.12 (7)	O3B^i—K1—O6A—K1^i	−28.28 (6)
O2A—P1A—P2A—O4A	−58.50 (8)	O2W—K1—O6A—K1^i	88.71 (5)
O3A—P1A—P2A—O4A	−176.41 (6)	K2^i—K1—O6A—K1^i	178.82 (7)
O1A—P1A—P2A—O5A	−168.59 (6)	O2B—P1B—O1B—K6	−29.77 (11)
O2A—P1A—P2A—O5A	67.79 (7)	O3B—P1B—O1B—K6	−154.72 (8)
O3A—P1A—P2A—O5A	−50.12 (7)	P2B—P1B—O1B—K6	91.21 (8)
O1A—P1A—P2A—O6A	−51.64 (7)	O2B—P1B—O1B—K3^iii	−151.79 (5)
O2A—P1A—P2A—O6A	−175.26 (6)	O3B—P1B—O1B—K3^iii	83.26 (7)
O3A—P1A—P2A—O6A	66.83 (7)	P2B—P1B—O1B—K3^iii	−30.81 (6)
O1B—P1B—P2B—O4B	62.54 (7)	O2B—P1B—O1B—K2	119.44 (6)
O2B—P1B—P2B—O4B	−171.38 (6)	O3B—P1B—O1B—K2	−5.52 (6)
O3B—P1B—P2B—O4B	−53.97 (7)	P2B—P1B—O1B—K2	−119.58 (4)
O1B—P1B—P2B—O5B	−62.33 (8)	O80W—K6—O1B—P1B	104.6 (3)
O2B—P1B—P2B—O5B	63.75 (7)	O8W—K6—O1B—P1B	110.28 (11)
O3B—P1B—P2B—O5B	−178.84 (6)	O2A^x—K6—O1B—P1B	−114.35 (9)
O1B—P1B—P2B—O6B	−179.36 (6)	O6W^x—K6—O1B—P1B	−34.24 (9)
O2B—P1B—P2B—O6B	−53.28 (7)	O5W^x—K6—O1B—P1B	−111.42 (9)
O3B—P1B—P2B—O6B	64.13 (7)	O7W^i—K6—O1B—P1B	38.41 (9)
O1A—K4—K5—O70W	105.4 (4)	O8W^xi—K6—O1B—P1B	−173.04 (8)
O4B^ii—K4—K5—O70W	16.8 (4)	K3^iii—K6—O1B—P1B	−127.48 (10)
O6W—K4—K5—O70W	−139.9 (4)	K4^x—K6—O1B—P1B	−34.33 (10)
O3A^ii—K4—K5—O70W	−59.7 (4)	K5^x—K6—O1B—P1B	−73.40 (9)
O3B^ii—K4—K5—O70W	−127.0 (5)	K2—K6—O1B—P1B	145.77 (12)
O5A^ii—K4—K5—O70W	−128.6 (4)	O80W—K6—O1B—K3^iii	−127.9 (2)
O4A—K4—K5—O70W	64.4 (4)	O8W—K6—O1B—K3^iii	−122.24 (8)
O1W—K4—K5—O70W	−25.2 (4)	O2A^x—K6—O1B—K3^iii	13.13 (6)
O1A—K4—K5—O7W	128.50 (5)	O6W^x—K6—O1B—K3^iii	93.25 (5)
O4B^ii—K4—K5—O7W	39.89 (6)	O5W^x—K6—O1B—K3^iii	16.06 (3)
O6W—K4—K5—O7W	−116.80 (6)	O7W^i—K6—O1B—K3^iii	165.89 (4)
O3A^ii—K4—K5—O7W	−36.64 (5)	O8W^xi—K6—O1B—K3^iii	−45.56 (5)
O3B^ii—K4—K5—O7W	−103.86 (15)	K4^x—K6—O1B—K3^iii	93.16 (4)
O5A^ii—K4—K5—O7W	−105.46 (6)	K5^x—K6—O1B—K3^iii	54.08 (3)
O4A—K4—K5—O7W	87.46 (6)	K2—K6—O1B—K3^iii	−86.75 (5)
O1W—K4—K5—O7W	−2.07 (5)	O80W—K6—O1B—K2	−41.1 (2)
O1A—K4—K5—O4A	41.04 (4)	O8W—K6—O1B—K2	−35.49 (8)
O4B^ii—K4—K5—O4A	−47.57 (4)	O2A^x—K6—O1B—K2	99.88 (6)
O6W—K4—K5—O4A	155.74 (5)	O6W^x—K6—O1B—K2	180.00 (5)
O3A^ii—K4—K5—O4A	−124.10 (4)	O5W^x—K6—O1B—K2	102.82 (5)
O3B^ii—K4—K5—O4A	168.67 (14)	O7W^i—K6—O1B—K2	−107.36 (5)
O5A^ii—K4—K5—O4A	167.08 (3)	O8W^xi—K6—O1B—K2	41.19 (6)
O1W—K4—K5—O4A	−89.53 (4)	K3^iii—K6—O1B—K2	86.75 (5)
O1A—K4—K5—O5W	−36.74 (4)	K4^x—K6—O1B—K2	179.91 (2)
O4B^ii—K4—K5—O5W	−125.35 (5)	K5^x—K6—O1B—K2	140.84 (4)
O6W—K4—K5—O5W	77.97 (5)	O1A^iii—K2—O1B—P1B	87.57 (6)
O3A^ii—K4—K5—O5W	158.12 (4)	O2W^i—K2—O1B—P1B	0.67 (7)
O3B^ii—K4—K5—O5W	90.90 (14)	O4W—K2—O1B—P1B	179.75 (6)
O5A^ii—K4—K5—O5W	89.30 (4)	O3B—K2—O1B—P1B	3.63 (4)
O4A—K4—K5—O5W	−77.77 (5)	O1W^i—K2—O1B—P1B	−89.36 (6)
O1W—K4—K5—O5W	−167.30 (4)	O4W^v—K2—O1B—P1B	126.17 (9)
O1A—K4—K5—O6W	−114.70 (5)	O3A^iv—K2—O1B—P1B	−119.56 (5)
O4B^ii—K4—K5—O6W	156.69 (5)	O6B^iv—K2—O1B—P1B	−93.19 (7)
O3A^ii—K4—K5—O6W	80.16 (5)	K1^i—K2—O1B—P1B	−42.93 (5)
O3B^ii—K4—K5—O6W	12.93 (14)	O1A^iii—K2—O1B—K6	−114.95 (5)
O5A^ii—K4—K5—O6W	11.34 (4)	O2W^i—K2—O1B—K6	158.15 (5)
O4A—K4—K5—O6W	−155.74 (5)	O4W—K2—O1B—K6	−22.77 (4)
O1W—K4—K5—O6W	114.73 (5)	O3B—K2—O1B—K6	161.12 (6)
O1A—K4—K5—O5B^vii	−134.56 (4)	O1W^i—K2—O1B—K6	68.12 (5)
O4B^ii—K4—K5—O5B^vii	136.83 (4)	O4W^v—K2—O1B—K6	−76.35 (10)
O6W—K4—K5—O5B^vii	−19.85 (4)	O3A^iv—K2—O1B—K6	37.92 (5)
O3A^ii—K4—K5—O5B^vii	60.30 (4)	O6B^iv—K2—O1B—K6	64.29 (7)
O3B^ii—K4—K5—O5B^vii	−6.92 (14)	K1^i—K2—O1B—K6	114.55 (5)
O5A^ii—K4—K5—O5B^vii	−8.52 (3)	O1A^iii—K2—O1B—K3^iii	−22.93 (3)
O4A—K4—K5—O5B^vii	−175.59 (3)	O2W^i—K2—O1B—K3^iii	−109.83 (5)
O1W—K4—K5—O5B^vii	94.88 (4)	O4W—K2—O1B—K3^iii	69.24 (4)
O1A—K4—K5—O3W^viii	−27.49 (10)	O3B—K2—O1B—K3^iii	−106.87 (5)
O4B^ii—K4—K5—O3W^viii	−116.10 (10)	O1W^i—K2—O1B—K3^iii	160.13 (4)
O6W—K4—K5—O3W^viii	87.21 (11)	O4W^v—K2—O1B—K3^iii	15.66 (9)
O3A^ii—K4—K5—O3W^viii	167.37 (10)	O3A^iv—K2—O1B—K3^iii	129.93 (4)
O3B^ii—K4—K5—O3W^viii	100.15 (17)	O6B^iv—K2—O1B—K3^iii	156.30 (5)
O5A^ii—K4—K5—O3W^viii	98.55 (10)	K1^i—K2—O1B—K3^iii	−153.44 (2)
O4A—K4—K5—O3W^viii	−68.53 (10)	O1B—P1B—O2B—K3	174.33 (5)
O1W—K4—K5—O3W^viii	−158.06 (11)	O3B—P1B—O2B—K3	−61.29 (7)
O1A—K4—K5—O1W	130.57 (4)	P2B—P1B—O2B—K3	52.90 (5)
O4B^ii—K4—K5—O1W	41.96 (4)	O1A—K3—O2B—P1B	14.10 (7)
O6W—K4—K5—O1W	−114.73 (5)	O4B^ii—K3—O2B—P1B	122.56 (5)
O3A^ii—K4—K5—O1W	−34.57 (4)	O5W^vi—K3—O2B—P1B	−132.99 (7)
O3B^ii—K4—K5—O1W	−101.80 (14)	O1B^ii—K3—O2B—P1B	−127.95 (6)
O5A^ii—K4—K5—O1W	−103.39 (4)	O6A—K3—O2B—P1B	57.08 (6)
O4A—K4—K5—O1W	89.53 (4)	O6B—K3—O2B—P1B	−32.93 (5)
O1A—K4—K5—O70W^ix	26.7 (2)	O3W—K3—O2B—P1B	130.19 (7)
O4B^ii—K4—K5—O70W^ix	−61.9 (2)	O1B—P1B—O3B—K2	5.59 (7)
O6W—K4—K5—O70W^ix	141.4 (2)	O2B—P1B—O3B—K2	−122.71 (6)
O3A^ii—K4—K5—O70W^ix	−138.4 (2)	P2B—P1B—O3B—K2	121.67 (4)
O3B^ii—K4—K5—O70W^ix	154.3 (3)	O1B—P1B—O3B—K4^iii	−87.72 (7)
O5A^ii—K4—K5—O70W^ix	152.7 (2)	O2B—P1B—O3B—K4^iii	143.98 (5)
O4A—K4—K5—O70W^ix	−14.3 (2)	P2B—P1B—O3B—K4^iii	28.36 (6)
O1W—K4—K5—O70W^ix	−103.9 (2)	O1B—P1B—O3B—K1^i	87.06 (7)
O1A—K4—K5—K3^viii	−68.11 (3)	O2B—P1B—O3B—K1^i	−41.24 (7)
O4B^ii—K4—K5—K3^viii	−156.72 (3)	P2B—P1B—O3B—K1^i	−156.86 (3)
O6W—K4—K5—K3^viii	46.60 (4)	O1A^iii—K2—O3B—P1B	−93.03 (6)
O3A^ii—K4—K5—K3^viii	126.75 (3)	O2W^i—K2—O3B—P1B	173.67 (7)
O3B^ii—K4—K5—K3^viii	59.53 (14)	O4W—K2—O3B—P1B	−8.01 (7)
O5A^ii—K4—K5—K3^viii	57.93 (3)	O1B—K2—O3B—P1B	−3.51 (4)
O4A—K4—K5—K3^viii	−109.14 (4)	O1W^i—K2—O3B—P1B	64.68 (5)
O1W—K4—K5—K3^viii	161.33 (3)	O4W^v—K2—O3B—P1B	−151.98 (5)
O1A—K4—K5—K6^vii	−68.38 (3)	O3A^iv—K2—O3B—P1B	79.76 (6)
O4B^ii—K4—K5—K6^vii	−156.99 (3)	O6B^iv—K2—O3B—P1B	136.04 (5)
O6W—K4—K5—K6^vii	46.32 (4)	K1^i—K2—O3B—P1B	112.36 (6)
O3A^ii—K4—K5—K6^vii	126.48 (3)	O1A^iii—K2—O3B—K4^iii	22.22 (3)
O3B^ii—K4—K5—K6^vii	59.26 (14)	O2W^i—K2—O3B—K4^iii	−71.09 (5)
O5A^ii—K4—K5—K6^vii	57.66 (3)	O4W—K2—O3B—K4^iii	107.24 (5)
O4A—K4—K5—K6^vii	−109.42 (3)	O1B—K2—O3B—K4^iii	111.74 (5)
O1W—K4—K5—K6^vii	161.05 (3)	O1W^i—K2—O3B—K4^iii	179.93 (3)
O1A^iii—K2—K6—O80W	−157.0 (3)	O4W^v—K2—O3B—K4^iii	−36.74 (6)
O2W^i—K2—K6—O80W	102.5 (3)	O3A^iv—K2—O3B—K4^iii	−165.00 (3)
O4W—K2—K6—O80W	−73.4 (3)	O6B^iv—K2—O3B—K4^iii	−108.72 (4)
O3B—K2—K6—O80W	122.7 (3)	K1^i—K2—O3B—K4^iii	−132.40 (4)
O1B—K2—K6—O80W	137.5 (3)	O1A^iii—K2—O3B—K1^i	154.62 (3)
O1W^i—K2—K6—O80W	42.2 (3)	O2W^i—K2—O3B—K1^i	61.31 (4)
O4W^v—K2—K6—O80W	−79.1 (3)	O4W—K2—O3B—K1^i	−120.36 (4)
O3A^iv—K2—K6—O80W	−6.4 (3)	O1B—K2—O3B—K1^i	−115.86 (4)
O6B^iv—K2—K6—O80W	−5.1 (3)	O1W^i—K2—O3B—K1^i	−47.67 (3)
K1^i—K2—K6—O80W	71.8 (3)	O4W^v—K2—O3B—K1^i	95.66 (5)
O1A^iii—K2—K6—O8W	−147.44 (10)	O3A^iv—K2—O3B—K1^i	−32.60 (4)
O2W^i—K2—K6—O8W	112.06 (11)	O6B^iv—K2—O3B—K1^i	23.68 (4)
O4W—K2—K6—O8W	−63.84 (11)	O5B—P2B—O4B—K1^iii	−56.31 (10)
O3B—K2—K6—O8W	132.26 (10)	O6B—P2B—O4B—K1^iii	68.78 (9)
O1B—K2—K6—O8W	147.06 (11)	P1B—P2B—O4B—K1^iii	−177.08 (6)
O1W^i—K2—K6—O8W	51.80 (10)	O5B—P2B—O4B—K4^iii	173.79 (5)
O4W^v—K2—K6—O8W	−69.49 (11)	O6B—P2B—O4B—K4^iii	−61.12 (7)
O3A^iv—K2—K6—O8W	3.21 (10)	P1B—P2B—O4B—K4^iii	53.02 (6)
O6B^iv—K2—K6—O8W	4.51 (10)	O5B—P2B—O4B—K3^iii	65.40 (7)
K1^i—K2—K6—O8W	81.40 (10)	O6B—P2B—O4B—K3^iii	−169.51 (5)
O1A^iii—K2—K6—O1B	65.50 (5)	P1B—P2B—O4B—K3^iii	−55.38 (5)
O2W^i—K2—K6—O1B	−35.00 (7)	O4B—P2B—O5B—K5^x	−32.14 (11)
O4W—K2—K6—O1B	149.11 (6)	O6B—P2B—O5B—K5^x	−158.33 (7)
O3B—K2—K6—O1B	−14.80 (5)	P1B—P2B—O5B—K5^x	87.04 (8)
O1W^i—K2—K6—O1B	−95.25 (6)	O4B—P2B—O6B—K3	139.14 (6)
O4W^v—K2—K6—O1B	143.46 (6)	O5B—P2B—O6B—K3	−92.33 (7)
O3A^iv—K2—K6—O1B	−143.85 (5)	P1B—P2B—O6B—K3	24.60 (7)
O6B^iv—K2—K6—O1B	−142.54 (5)	O4B—P2B—O6B—K2^xii	−44.77 (7)
K1^i—K2—K6—O1B	−65.65 (5)	O5B—P2B—O6B—K2^xii	83.77 (7)
O1A^iii—K2—K6—O2A^x	−55.98 (4)	P1B—P2B—O6B—K2^xii	−159.31 (3)
O2W^i—K2—K6—O2A^x	−156.48 (6)	O1A—K3—O6B—P2B	−146.10 (7)
O4W—K2—K6—O2A^x	27.62 (5)	O4B^ii—K3—O6B—P2B	−127.40 (8)
O3B—K2—K6—O2A^x	−136.28 (4)	O5W^vi—K3—O6B—P2B	52.95 (7)
O1B—K2—K6—O2A^x	−121.48 (6)	O1B^ii—K3—O6B—P2B	135.78 (6)
O1W^i—K2—K6—O2A^x	143.26 (4)	O6A—K3—O6B—P2B	−73.19 (7)
O4W^v—K2—K6—O2A^x	21.97 (5)	O2B—K3—O6B—P2B	−1.87 (6)
O3A^iv—K2—K6—O2A^x	94.67 (4)	O3W—K3—O6B—P2B	−16.49 (8)
O6B^iv—K2—K6—O2A^x	95.97 (4)	O1A—K3—O6B—K2^xii	38.15 (4)
K1^i—K2—K6—O2A^x	172.86 (3)	O4B^ii—K3—O6B—K2^xii	56.85 (9)
O1A^iii—K2—K6—O6W^x	65.50 (5)	O5W^vi—K3—O6B—K2^xii	−122.80 (5)
O2W^i—K2—K6—O6W^x	−35.01 (6)	O1B^ii—K3—O6B—K2^xii	−39.97 (5)
O4W—K2—K6—O6W^x	149.10 (5)	O6A—K3—O6B—K2^xii	111.06 (5)
O3B—K2—K6—O6W^x	−14.80 (4)	O2B—K3—O6B—K2^xii	−177.63 (5)
O1B—K2—K6—O6W^x	0.00 (5)	O3W—K3—O6B—K2^xii	167.76 (4)
O1W^i—K2—K6—O6W^x	−95.26 (5)	O4B^ii—K1—O1W—K2^i	−80.96 (4)
O4W^v—K2—K6—O6W^x	143.45 (5)	O6A—K1—O1W—K2^i	−161.68 (3)
O3A^iv—K2—K6—O6W^x	−143.85 (4)	O6A^i—K1—O1W—K2^i	68.62 (4)
O6B^iv—K2—K6—O6W^x	−142.55 (4)	O4A—K1—O1W—K2^i	−174.04 (4)
K1^i—K2—K6—O6W^x	−65.66 (4)	O3W—K1—O1W—K2^i	−60.14 (12)
O1A^iii—K2—K6—O5W^x	−11.64 (3)	O3W^i—K1—O1W—K2^i	129.92 (4)
O2W^i—K2—K6—O5W^x	−112.14 (7)	O3B^i—K1—O1W—K2^i	48.13 (3)
O4W—K2—K6—O5W^x	71.97 (5)	O2W—K1—O1W—K2^i	−9.12 (3)
O3B—K2—K6—O5W^x	−91.94 (5)	K1^i—K1—O1W—K2^i	133.86 (4)
O1B—K2—K6—O5W^x	−77.14 (6)	O4B^ii—K1—O1W—K4	35.38 (3)
O1W^i—K2—K6—O5W^x	−172.39 (4)	O6A—K1—O1W—K4	−45.35 (4)
O4W^v—K2—K6—O5W^x	66.32 (5)	O6A^i—K1—O1W—K4	−175.05 (3)
O3A^iv—K2—K6—O5W^x	139.01 (4)	O4A—K1—O1W—K4	−57.70 (3)
O6B^iv—K2—K6—O5W^x	140.32 (4)	O3W—K1—O1W—K4	56.19 (12)
K1^i—K2—K6—O5W^x	−142.80 (3)	O3W^i—K1—O1W—K4	−113.74 (3)
O1A^iii—K2—K6—O7W^i	131.18 (4)	O3B^i—K1—O1W—K4	164.46 (4)
O2W^i—K2—K6—O7W^i	30.67 (6)	O2W—K1—O1W—K4	107.21 (3)
O4W—K2—K6—O7W^i	−145.22 (5)	K1^i—K1—O1W—K4	−109.81 (4)
O3B—K2—K6—O7W^i	50.88 (4)	K2^i—K1—O1W—K4	116.34 (4)
O1B—K2—K6—O7W^i	65.67 (5)	O4B^ii—K1—O1W—K5	108.76 (4)
O1W^i—K2—K6—O7W^i	−29.58 (4)	O6A—K1—O1W—K5	28.04 (5)
O4W^v—K2—K6—O7W^i	−150.87 (5)	O6A^i—K1—O1W—K5	−101.67 (4)
O3A^iv—K2—K6—O7W^i	−78.18 (3)	O4A—K1—O1W—K5	15.68 (3)
O6B^iv—K2—K6—O7W^i	−76.87 (4)	O3W—K1—O1W—K5	129.58 (11)
K1^i—K2—K6—O7W^i	0.02 (3)	O3W^i—K1—O1W—K5	−40.36 (5)
O1A^iii—K2—K6—O8W^xi	−78.25 (5)	O3B^i—K1—O1W—K5	−122.16 (4)
O2W^i—K2—K6—O8W^xi	−178.76 (6)	O2W—K1—O1W—K5	−179.41 (4)
O4W—K2—K6—O8W^xi	5.35 (5)	K1^i—K1—O1W—K5	−36.43 (6)
O3B—K2—K6—O8W^xi	−158.55 (4)	K2^i—K1—O1W—K5	−170.28 (5)
O1B—K2—K6—O8W^xi	−143.75 (6)	O1A—K4—O1W—K1	30.23 (6)
O1W^i—K2—K6—O8W^xi	120.99 (5)	O4B^ii—K4—O1W—K1	−34.77 (4)
O4W^v—K2—K6—O8W^xi	−0.30 (5)	O6W—K4—O1W—K1	148.51 (4)
O3A^iv—K2—K6—O8W^xi	72.40 (4)	O3A^ii—K4—O1W—K1	−117.76 (5)
O6B^iv—K2—K6—O8W^xi	73.70 (4)	O3B^ii—K4—O1W—K1	−85.55 (5)
K1^i—K2—K6—O8W^xi	150.59 (4)	O5A^ii—K4—O1W—K1	−162.02 (3)
O1A^iii—K2—K6—K3^iii	2.07 (2)	O4A—K4—O1W—K1	57.62 (4)
O2W^i—K2—K6—K3^iii	−98.43 (6)	O1A—K4—O1W—K2^i	105.39 (6)
O4W—K2—K6—K3^iii	85.68 (4)	O4B^ii—K4—O1W—K2^i	40.39 (4)
O3B—K2—K6—K3^iii	−78.23 (4)	O6W—K4—O1W—K2^i	−136.33 (5)
O1B—K2—K6—K3^iii	−63.43 (5)	O3A^ii—K4—O1W—K2^i	−42.60 (5)
O1W^i—K2—K6—K3^iii	−158.68 (3)	O3B^ii—K4—O1W—K2^i	−10.39 (6)
O4W^v—K2—K6—K3^iii	80.03 (4)	O5A^ii—K4—O1W—K2^i	−86.86 (6)
O3A^iv—K2—K6—K3^iii	152.72 (3)	O4A—K4—O1W—K2^i	132.78 (6)
O6B^iv—K2—K6—K3^iii	154.03 (3)	O1A—K4—O1W—K5	−76.80 (6)
K1^i—K2—K6—K3^iii	−129.085 (15)	O4B^ii—K4—O1W—K5	−141.80 (4)
O1A^iii—K2—K6—K4^x	65.33 (5)	O6W—K4—O1W—K5	41.48 (4)
O2W^i—K2—K6—K4^x	−35.18 (6)	O3A^ii—K4—O1W—K5	135.21 (5)
O4W—K2—K6—K4^x	148.93 (5)	O3B^ii—K4—O1W—K5	167.42 (3)
O3B—K2—K6—K4^x	−14.97 (3)	O5A^ii—K4—O1W—K5	90.95 (4)
O1B—K2—K6—K4^x	−0.18 (5)	O4A—K4—O1W—K5	−49.41 (4)
O1W^i—K2—K6—K4^x	−95.43 (5)	O70W—K5—O1W—K1	83.7 (3)
O4W^v—K2—K6—K4^x	143.28 (4)	O7W—K5—O1W—K1	102.27 (6)
O3A^iv—K2—K6—K4^x	−144.03 (3)	O4A—K5—O1W—K1	−17.57 (3)
O6B^iv—K2—K6—K4^x	−142.72 (3)	O5W—K5—O1W—K1	−56.99 (7)
K1^i—K2—K6—K4^x	−65.83 (4)	O6W—K5—O1W—K1	−116.31 (4)
O1A^iii—K2—K6—K5^x	25.22 (3)	O5B^vii—K5—O1W—K1	−171.33 (3)
O2W^i—K2—K6—K5^x	−75.28 (6)	O3W^viii—K5—O1W—K1	94.23 (7)
O4W—K2—K6—K5^x	108.83 (4)	O70W^ix—K5—O1W—K1	25.7 (2)
O3B—K2—K6—K5^x	−55.08 (3)	K4—K5—O1W—K1	−75.71 (3)
O1B—K2—K6—K5^x	−40.28 (4)	K3^viii—K5—O1W—K1	−133.21 (6)
O1W^i—K2—K6—K5^x	−135.53 (3)	K6^vii—K5—O1W—K1	−92.99 (3)
O4W^v—K2—K6—K5^x	103.18 (4)	O70W—K5—O1W—K2^i	−31.6 (4)
O3A^iv—K2—K6—K5^x	175.87 (2)	O7W—K5—O1W—K2^i	−13.0 (2)
O6B^iv—K2—K6—K5^x	177.18 (3)	O4A—K5—O1W—K2^i	−132.8 (3)
K1^i—K2—K6—K5^x	−105.934 (15)	O5W—K5—O1W—K2^i	−172.2 (2)
O2A—P1A—O1A—K2^ii	−63.09 (9)	O6W—K5—O1W—K2^i	128.4 (3)
O3A—P1A—O1A—K2^ii	63.82 (9)	O5B^vii—K5—O1W—K2^i	73.4 (3)
P2A—P1A—O1A—K2^ii	177.53 (5)	O3W^viii—K5—O1W—K2^i	−21.0 (3)
O2A—P1A—O1A—K3	172.45 (5)	O70W^ix—K5—O1W—K2^i	−89.6 (4)
O3A—P1A—O1A—K3	−60.64 (7)	K4—K5—O1W—K2^i	169.0 (3)
P2A—P1A—O1A—K3	53.07 (5)	K3^viii—K5—O1W—K2^i	111.5 (2)
K4—P1A—O1A—K3	111.80 (7)	K6^vii—K5—O1W—K2^i	151.8 (2)
K2^ii—P1A—O1A—K3	−124.46 (9)	O70W—K5—O1W—K4	159.4 (3)
O2A—P1A—O1A—K4	60.65 (7)	O7W—K5—O1W—K4	177.98 (5)
O3A—P1A—O1A—K4	−172.44 (5)	O4A—K5—O1W—K4	58.13 (3)
P2A—P1A—O1A—K4	−58.73 (5)	O5W—K5—O1W—K4	18.72 (6)
O4B^ii—K3—O1A—P1A	−118.38 (6)	O6W—K5—O1W—K4	−40.61 (4)
O5W^vi—K3—O1A—P1A	100.17 (9)	O5B^vii—K5—O1W—K4	−95.62 (3)
O1B^ii—K3—O1A—P1A	166.53 (6)	O3W^viii—K5—O1W—K4	169.94 (5)
O6A—K3—O1A—P1A	−32.81 (5)	O70W^ix—K5—O1W—K4	101.4 (2)
O6B—K3—O1A—P1A	53.82 (6)	K3^viii—K5—O1W—K4	−57.50 (8)
O2B—K3—O1A—P1A	9.61 (7)	K6^vii—K5—O1W—K4	−17.28 (3)
O3W—K3—O1A—P1A	−59.16 (7)	O4B^ii—K1—O2W—K2^i	90.97 (4)
O4B^ii—K3—O1A—K2^ii	100.26 (4)	O1W—K1—O2W—K2^i	9.94 (3)
O5W^vi—K3—O1A—K2^ii	−41.19 (9)	O6A—K1—O2W—K2^i	151.73 (4)
O1B^ii—K3—O1A—K2^ii	25.17 (3)	O6A^i—K1—O2W—K2^i	−107.84 (4)
O6A—K3—O1A—K2^ii	−174.17 (4)	O4A—K1—O2W—K2^i	49.83 (10)
O6B—K3—O1A—K2^ii	−87.55 (4)	O3W—K1—O2W—K2^i	176.46 (3)
O2B—K3—O1A—K2^ii	−131.76 (4)	O3W^i—K1—O2W—K2^i	−81.33 (6)
O3W—K3—O1A—K2^ii	159.48 (4)	O3B^i—K1—O2W—K2^i	−59.17 (3)
O4B^ii—K3—O1A—K4	−0.43 (3)	K1^i—K1—O2W—K2^i	−145.12 (3)
O5W^vi—K3—O1A—K4	−141.89 (7)	O4B^ii—K1—O3W—K5^vi	34.97 (4)
O1B^ii—K3—O1A—K4	−75.53 (4)	O1W—K1—O3W—K5^vi	14.06 (14)
O6A—K3—O1A—K4	85.14 (4)	O6A—K1—O3W—K5^vi	123.06 (6)
O6B—K3—O1A—K4	171.76 (4)	O6A^i—K1—O3W—K5^vi	−119.99 (5)
O2B—K3—O1A—K4	127.55 (4)	O4A—K1—O3W—K5^vi	120.60 (5)
O3W—K3—O1A—K4	58.78 (6)	O3W^i—K1—O3W—K5^vi	−176.62 (5)
O4B^ii—K4—O1A—P1A	122.32 (6)	O3B^i—K1—O3W—K5^vi	−89.08 (5)
O6W—K4—O1A—P1A	−40.61 (7)	O2W—K1—O3W—K5^vi	−39.44 (5)
O3A^ii—K4—O1A—P1A	150.20 (6)	K1^i—K1—O3W—K5^vi	−176.62 (5)
O3B^ii—K4—O1A—P1A	−164.97 (6)	K2^i—K1—O3W—K5^vi	−36.54 (5)
O5A^ii—K4—O1A—P1A	−106.66 (5)	O4B^ii—K1—O3W—K1^i	−148.41 (3)
O4A—K4—O1A—P1A	34.61 (5)	O1W—K1—O3W—K1^i	−169.32 (11)
O1W—K4—O1A—P1A	59.83 (7)	O6A—K1—O3W—K1^i	−60.32 (4)
O4B^ii—K4—O1A—K2^ii	−97.12 (4)	O6A^i—K1—O3W—K1^i	56.63 (3)
O6W—K4—O1A—K2^ii	99.94 (5)	O4A—K1—O3W—K1^i	−62.78 (4)
O3A^ii—K4—O1A—K2^ii	−69.25 (8)	O3W^i—K1—O3W—K1^i	0.0
O3B^ii—K4—O1A—K2^ii	−24.41 (3)	O3B^i—K1—O3W—K1^i	87.54 (4)
O5A^ii—K4—O1A—K2^ii	33.90 (5)	O2W—K1—O3W—K1^i	137.19 (4)
O4A—K4—O1A—K2^ii	175.17 (4)	K2^i—K1—O3W—K1^i	140.08 (3)
O1W—K4—O1A—K2^ii	−159.61 (4)	O4B^ii—K1—O3W—K3	−36.70 (3)
O4B^ii—K4—O1A—K3	0.44 (4)	O1W—K1—O3W—K3	−57.61 (12)
O6W—K4—O1A—K3	−162.49 (3)	O6A—K1—O3W—K3	51.39 (3)
O3A^ii—K4—O1A—K3	28.32 (9)	O6A^i—K1—O3W—K3	168.34 (3)
O3B^ii—K4—O1A—K3	73.16 (4)	O4A—K1—O3W—K3	48.93 (4)
O5A^ii—K4—O1A—K3	131.47 (4)	O3W^i—K1—O3W—K3	111.71 (3)
O4A—K4—O1A—K3	−87.26 (4)	O3B^i—K1—O3W—K3	−160.75 (3)
O1W—K4—O1A—K3	−62.04 (6)	O2W—K1—O3W—K3	−111.11 (3)
O1A—P1A—O2A—K6^vii	−21.28 (12)	K1^i—K1—O3W—K3	111.71 (3)
O3A—P1A—O2A—K6^vii	−148.92 (8)	K2^i—K1—O3W—K3	−108.21 (2)
P2A—P1A—O2A—K6^vii	96.78 (9)	O1A—K3—O3W—K1	−26.53 (5)
O1A—P1A—O3A—K4^iii	139.43 (6)	O4B^ii—K3—O3W—K1	35.24 (4)
O2A—P1A—O3A—K4^iii	−91.32 (8)	O5W^vi—K3—O3W—K1	162.98 (4)
P2A—P1A—O3A—K4^iii	25.09 (7)	O1B^ii—K3—O3W—K1	91.83 (5)
O1A—P1A—O3A—K2^xii	−52.16 (8)	O6A—K3—O3W—K1	−54.32 (4)
O2A—P1A—O3A—K2^xii	77.09 (8)	O6B—K3—O3W—K1	−120.81 (4)
P2A—P1A—O3A—K2^xii	−166.50 (4)	O2B—K3—O3W—K1	−138.26 (5)
O5A—P2A—O4A—K5	−47.06 (12)	O1A—K3—O3W—K5^vi	−149.97 (4)
O6A—P2A—O4A—K5	−170.98 (8)	O4B^ii—K3—O3W—K5^vi	−88.20 (5)
P1A—P2A—O4A—K5	74.51 (10)	O5W^vi—K3—O3W—K5^vi	39.54 (4)
O5A—P2A—O4A—K1	124.76 (6)	O1B^ii—K3—O3W—K5^vi	−31.61 (5)
O6A—P2A—O4A—K1	0.84 (6)	O6A—K3—O3W—K5^vi	−177.76 (4)
P1A—P2A—O4A—K1	−113.67 (4)	O6B—K3—O3W—K5^vi	115.75 (5)
O5A—P2A—O4A—K4	−152.82 (5)	O2B—K3—O3W—K5^vi	98.30 (5)
O6A—P2A—O4A—K4	83.26 (6)	O1A—K3—O3W—K1^i	38.86 (6)
P1A—P2A—O4A—K4	−31.26 (5)	O4B^ii—K3—O3W—K1^i	100.63 (5)
O70W—K5—O4A—P2A	115.0 (4)	O5W^vi—K3—O3W—K1^i	−131.63 (5)
O7W—K5—O4A—P2A	134.68 (10)	O1B^ii—K3—O3W—K1^i	157.22 (4)
O5W—K5—O4A—P2A	−16.82 (10)	O6A—K3—O3W—K1^i	11.07 (3)
O6W—K5—O4A—P2A	−95.41 (11)	O6B—K3—O3W—K1^i	−55.42 (6)
O5B^vii—K5—O4A—P2A	−102.91 (12)	O2B—K3—O3W—K1^i	−72.87 (5)
O3W^viii—K5—O4A—P2A	50.10 (11)	O1A^iii—K2—O4W—K2^v	−76.48 (4)
O1W—K5—O4A—P2A	−170.53 (11)	O2W^i—K2—O4W—K2^v	15.4 (2)
O70W^ix—K5—O4A—P2A	53.2 (3)	O3B—K2—O4W—K2^v	−156.94 (3)
K4—K5—O4A—P2A	−112.14 (11)	O1B—K2—O4W—K2^v	−160.58 (4)
K3^viii—K5—O4A—P2A	−11.38 (11)	O1W^i—K2—O4W—K2^v	133.96 (4)
K6^vii—K5—O4A—P2A	−57.19 (10)	O4W^v—K2—O4W—K2^v	0.0
O70W—K5—O4A—K1	−56.1 (3)	O3A^iv—K2—O4W—K2^v	82.43 (4)
O7W—K5—O4A—K1	−36.38 (6)	O6B^iv—K2—O4W—K2^v	52.33 (3)
O5W—K5—O4A—K1	172.11 (4)	K1^i—K2—O4W—K2^v	134.05 (4)
O6W—K5—O4A—K1	93.53 (5)	O70W—K5—O5W—K3^viii	86.1 (4)
O5B^vii—K5—O4A—K1	86.03 (8)	O7W—K5—O5W—K3^viii	73.06 (10)
O3W^viii—K5—O4A—K1	−120.97 (5)	O4A—K5—O5W—K3^viii	172.99 (4)
O1W—K5—O4A—K1	18.41 (4)	O6W—K5—O5W—K3^viii	−91.78 (5)
O70W^ix—K5—O4A—K1	−117.8 (2)	O5B^vii—K5—O5W—K3^viii	−35.30 (4)
K4—K5—O4A—K1	76.80 (5)	O3W^viii—K5—O5W—K3^viii	46.75 (4)
K3^viii—K5—O4A—K1	177.56 (2)	O1W—K5—O5W—K3^viii	−150.47 (4)
K6^vii—K5—O4A—K1	131.75 (4)	O70W^ix—K5—O5W—K3^viii	106.7 (2)
O70W—K5—O4A—K4	−132.9 (3)	K4—K5—O5W—K3^viii	−135.90 (3)
O7W—K5—O4A—K4	−113.18 (5)	K6^vii—K5—O5W—K3^viii	−91.48 (5)
O5W—K5—O4A—K4	95.32 (5)	O70W—K5—O5W—K6^vii	177.6 (4)
O6W—K5—O4A—K4	16.73 (3)	O7W—K5—O5W—K6^vii	164.54 (8)
O5B^vii—K5—O4A—K4	9.23 (7)	O4A—K5—O5W—K6^vii	−95.53 (5)
O3W^viii—K5—O4A—K4	162.23 (3)	O6W—K5—O5W—K6^vii	−0.30 (5)
O1W—K5—O4A—K4	−58.39 (4)	O5B^vii—K5—O5W—K6^vii	56.18 (5)
O70W^ix—K5—O4A—K4	165.4 (2)	O3W^viii—K5—O5W—K6^vii	138.23 (5)
K3^viii—K5—O4A—K4	100.76 (4)	O1W—K5—O5W—K6^vii	−58.99 (7)
K6^vii—K5—O4A—K4	54.95 (2)	O70W^ix—K5—O5W—K6^vii	−161.8 (2)
O4B^ii—K1—O4A—P2A	82.63 (6)	K4—K5—O5W—K6^vii	−44.42 (4)
O1W—K1—O4A—P2A	165.05 (6)	K3^viii—K5—O5W—K6^vii	91.48 (5)
O6A—K1—O4A—P2A	−0.55 (4)	O1A—K4—O6W—K5	84.43 (5)
O6A^i—K1—O4A—P2A	−84.78 (6)	O4B^ii—K4—O6W—K5	−54.03 (10)
O3W—K1—O4A—P2A	2.41 (6)	O3A^ii—K4—O6W—K5	−100.16 (5)
O3W^i—K1—O4A—P2A	−94.24 (6)	O3B^ii—K4—O6W—K5	−177.32 (3)
O3B^i—K1—O4A—P2A	−143.20 (5)	O5A^ii—K4—O6W—K5	−166.68 (5)
O2W—K1—O4A—P2A	121.55 (9)	O4A—K4—O6W—K5	16.12 (3)
K1^i—K1—O4A—P2A	−44.96 (5)	O1W—K4—O6W—K5	−46.74 (4)
K2^i—K1—O4A—P2A	159.79 (4)	O1A—K4—O6W—K6^vii	−18.18 (5)
O4B^ii—K1—O4A—K5	−102.85 (5)	O4B^ii—K4—O6W—K6^vii	−156.63 (7)
O1W—K1—O4A—K5	−20.43 (4)	O3A^ii—K4—O6W—K6^vii	157.24 (4)
O6A—K1—O4A—K5	173.97 (6)	O3B^ii—K4—O6W—K6^vii	80.07 (6)
O6A^i—K1—O4A—K5	89.74 (5)	O5A^ii—K4—O6W—K6^vii	90.71 (5)
O3W—K1—O4A—K5	176.93 (4)	O4A—K4—O6W—K6^vii	−86.48 (5)
O3W^i—K1—O4A—K5	80.28 (5)	O1W—K4—O6W—K6^vii	−149.35 (4)
O3B^i—K1—O4A—K5	31.32 (5)	O70W—K5—O6W—K4	86.5 (5)
O2W—K1—O4A—K5	−63.93 (10)	O7W—K5—O6W—K4	92.34 (6)
K1^i—K1—O4A—K5	129.56 (4)	O4A—K5—O6W—K4	−18.73 (4)
K2^i—K1—O4A—K5	−25.69 (5)	O5W—K5—O6W—K4	−96.52 (5)
O4B^ii—K1—O4A—K4	−22.07 (3)	O5B^vii—K5—O6W—K4	157.17 (5)
O1W—K1—O4A—K4	60.35 (4)	O3W^viii—K5—O6W—K4	−157.68 (4)
O6A—K1—O4A—K4	−105.25 (4)	O1W—K5—O6W—K4	46.73 (4)
O6A^i—K1—O4A—K4	170.53 (3)	O70W^ix—K5—O6W—K4	−68.1 (4)
O3W—K1—O4A—K4	−102.29 (4)	K3^viii—K5—O6W—K4	−138.99 (4)
O3W^i—K1—O4A—K4	161.06 (4)	K6^vii—K5—O6W—K4	−96.83 (5)
O3B^i—K1—O4A—K4	112.11 (4)	O70W—K5—O6W—K6^vii	−176.7 (5)
O2W—K1—O4A—K4	16.85 (9)	O7W—K5—O6W—K6^vii	−170.82 (4)
K1^i—K1—O4A—K4	−149.65 (2)	O4A—K5—O6W—K6^vii	78.10 (5)
K2^i—K1—O4A—K4	55.09 (3)	O5W—K5—O6W—K6^vii	0.31 (5)
O1A—K4—O4A—P2A	5.61 (5)	O5B^vii—K5—O6W—K6^vii	−105.99 (6)
O4B^ii—K4—O4A—P2A	−77.17 (6)	O3W^viii—K5—O6W—K6^vii	−60.85 (7)
O6W—K4—O4A—P2A	127.24 (6)	O1W—K5—O6W—K6^vii	143.56 (5)
O3A^ii—K4—O4A—P2A	−149.15 (5)	O70W^ix—K5—O6W—K6^vii	28.7 (4)
O3B^ii—K4—O4A—P2A	−32.05 (9)	K4—K5—O6W—K6^vii	96.83 (5)
O5A^ii—K4—O4A—P2A	123.41 (6)	K3^viii—K5—O6W—K6^vii	−42.16 (4)
O1W—K4—O4A—P2A	−153.27 (6)	O4A—K5—O7W—O70W	−66.2 (8)
O1A—K4—O4A—K5	−138.77 (4)	O5W—K5—O7W—O70W	27.2 (8)
O4B^ii—K4—O4A—K5	138.45 (3)	O6W—K5—O7W—O70W	−171.7 (8)
O6W—K4—O4A—K5	−17.14 (3)	O5B^vii—K5—O7W—O70W	137.2 (8)
O3A^ii—K4—O4A—K5	66.48 (4)	O3W^viii—K5—O7W—O70W	53.4 (8)
O3B^ii—K4—O4A—K5	−176.43 (5)	O1W—K5—O7W—O70W	−121.7 (8)
O5A^ii—K4—O4A—K5	−20.97 (5)	O70W^ix—K5—O7W—O70W	−3.5 (10)
O1W—K4—O4A—K5	62.35 (4)	K4—K5—O7W—O70W	−119.9 (8)
O1A—K4—O4A—K1	104.02 (4)	K3^viii—K5—O7W—O70W	78.2 (8)
O4B^ii—K4—O4A—K1	21.24 (3)	K6^vii—K5—O7W—O70W	165.7 (8)
O6W—K4—O4A—K1	−134.35 (3)	O70W—K5—O7W—K6^i	−178.1 (8)
O3A^ii—K4—O4A—K1	−50.74 (4)	O4A—K5—O7W—K6^i	115.71 (6)
O3B^ii—K4—O4A—K1	66.36 (6)	O5W—K5—O7W—K6^i	−150.94 (8)
O5A^ii—K4—O4A—K1	−138.18 (4)	O6W—K5—O7W—K6^i	10.19 (8)
O1W—K4—O4A—K1	−54.86 (4)	O5B^vii—K5—O7W—K6^i	−40.90 (6)
O4A—P2A—O5A—K4^iii	172.72 (5)	O3W^viii—K5—O7W—K6^i	−124.72 (6)
O6A—P2A—O5A—K4^iii	−63.95 (7)	O1W—K5—O7W—K6^i	60.19 (6)
P1A—P2A—O5A—K4^iii	49.93 (5)	O70W^ix—K5—O7W—K6^i	178.3 (2)
O4A—P2A—O6A—K3	−91.86 (7)	K4—K5—O7W—K6^i	61.97 (7)
O5A—P2A—O6A—K3	140.91 (5)	K3^viii—K5—O7W—K6^i	−99.95 (7)
P1A—P2A—O6A—K3	25.59 (6)	K6^vii—K5—O7W—K6^i	−12.48 (17)
O4A—P2A—O6A—K1	−0.85 (6)	K6^i—O7W—O70W—K5	174 (2)
O5A—P2A—O6A—K1	−128.08 (5)	K5—O7W—O70W—K5^ix	167 (3)
P1A—P2A—O6A—K1	116.60 (4)	K6^i—O7W—O70W—K5^ix	−19 (6)
O4A—P2A—O6A—K1^i	75.68 (7)	O4A—K5—O70W—O7W	117.3 (7)
O5A—P2A—O6A—K1^i	−51.55 (7)	O5W—K5—O70W—O7W	−163.3 (5)
P1A—P2A—O6A—K1^i	−166.87 (4)	O6W—K5—O70W—O7W	12.7 (11)
K1—P2A—O6A—K1^i	76.53 (5)	O5B^vii—K5—O70W—O7W	−45.1 (8)
K4—P2A—O6A—K1^i	127.03 (4)	O3W^viii—K5—O70W—O7W	−120.7 (8)
K4^iii—P2A—O6A—K1^i	−91.72 (5)	O1W—K5—O70W—O7W	52.4 (7)
K3—P2A—O6A—K1^i	167.54 (8)	O70W^ix—K5—O70W—O7W	176.2 (10)
O1A—K3—O6A—P2A	−3.59 (5)	K4—K5—O70W—O7W	72.3 (8)
O4B^ii—K3—O6A—P2A	78.96 (6)	K3^viii—K5—O70W—O7W	−114.2 (7)
O5W^vi—K3—O6A—P2A	−159.95 (5)	K6^vii—K5—O70W—O7W	−151.5 (17)
O1B^ii—K3—O6A—P2A	36.44 (9)	O7W—K5—O70W—K5^ix	−176.2 (10)
O6B—K3—O6A—P2A	−81.06 (6)	O4A—K5—O70W—K5^ix	−58.9 (4)
O2B—K3—O6A—P2A	−149.79 (6)	O5W—K5—O70W—K5^ix	20.6 (6)
O3W—K3—O6A—P2A	154.82 (7)	O6W—K5—O70W—K5^ix	−163.4 (2)
O1A—K3—O6A—K1	−103.28 (4)	O5B^vii—K5—O70W—K5^ix	138.7 (3)
O4B^ii—K3—O6A—K1	−20.73 (3)	O3W^viii—K5—O70W—K5^ix	63.2 (3)
O5W^vi—K3—O6A—K1	100.36 (5)	O1W—K5—O70W—K5^ix	−123.7 (4)
O1B^ii—K3—O6A—K1	−63.25 (7)	O70W^ix—K5—O70W—K5^ix	0.0
O6B—K3—O6A—K1	179.25 (3)	K4—K5—O70W—K5^ix	−103.8 (4)
O2B—K3—O6A—K1	110.52 (4)	K3^viii—K5—O70W—K5^ix	69.6 (4)
O3W—K3—O6A—K1	55.13 (4)	K6^vii—K5—O70W—K5^ix	32 (2)
O1A—K3—O6A—K1^i	−171.32 (4)	O1B—K6—O8W—O80W	−24.7 (10)
O4B^ii—K3—O6A—K1^i	−88.77 (5)	O2A^x—K6—O8W—O80W	−179.8 (9)
O5W^vi—K3—O6A—K1^i	32.32 (6)	O6W^x—K6—O8W—O80W	75.4 (10)
O1B^ii—K3—O6A—K1^i	−131.29 (6)	O5W^x—K6—O8W—O80W	−132.2 (9)
O6B—K3—O6A—K1^i	111.21 (5)	O7W^i—K6—O8W—O80W	41.4 (9)
O2B—K3—O6A—K1^i	42.48 (4)	O8W^xi—K6—O8W—O80W	−135.7 (10)
O3W—K3—O6A—K1^i	−12.91 (4)	K3^iii—K6—O8W—O80W	−74.2 (10)
O4B^ii—K1—O6A—P2A	−94.03 (5)	K4^x—K6—O8W—O80W	119.8 (10)
O1W—K1—O6A—P2A	−14.44 (6)	K5^x—K6—O8W—O80W	173.2 (9)
O6A^i—K1—O6A—P2A	120.48 (6)	K2—K6—O8W—O80W	−43.6 (10)
O4A—K1—O6A—P2A	0.53 (4)	O80W—K6—O8W—K6^xi	135.7 (10)
O3W—K1—O6A—P2A	−176.63 (6)	O1B—K6—O8W—K6^xi	110.95 (15)
O3W^i—K1—O6A—P2A	62.49 (5)	O2A^x—K6—O8W—K6^xi	−44.17 (13)
O3B^i—K1—O6A—P2A	92.20 (7)	O6W^x—K6—O8W—K6^xi	−148.96 (9)
O2W—K1—O6A—P2A	−150.81 (5)	O5W^x—K6—O8W—K6^xi	3.4 (2)
K1^i—K1—O6A—P2A	120.48 (6)	O7W^i—K6—O8W—K6^xi	177.03 (15)
K2^i—K1—O6A—P2A	−60.71 (10)	O8W^xi—K6—O8W—K6^xi	0.0
O4B^ii—K1—O6A—K3	22.03 (3)	K3^iii—K6—O8W—K6^xi	61.5 (2)
O1W—K1—O6A—K3	101.62 (4)	K4^x—K6—O8W—K6^xi	−104.50 (8)
O6A^i—K1—O6A—K3	−123.46 (4)	K5^x—K6—O8W—K6^xi	−51.1 (2)
O4A—K1—O6A—K3	116.60 (4)	K2—K6—O8W—K6^xi	92.07 (12)
O3W—K1—O6A—K3	−60.57 (4)	K6^xi—O8W—O80W—K6	−109.7 (11)
O3W^i—K1—O6A—K3	178.56 (4)	O1B—K6—O80W—O8W	156.8 (9)
O3B^i—K1—O6A—K3	−151.73 (5)	O2A^x—K6—O80W—O8W	0.2 (10)
O2W—K1—O6A—K3	−34.74 (5)	O6W^x—K6—O80W—O8W	−120.7 (9)
K1^i—K1—O6A—K3	−123.46 (4)	O5W^x—K6—O80W—O8W	60.8 (11)
K2^i—K1—O6A—K3	55.36 (9)	O7W^i—K6—O80W—O8W	−136.3 (10)
O4B^ii—K1—O6A—K1^i	145.49 (4)	O8W^xi—K6—O80W—O8W	41.7 (9)
O1W—K1—O6A—K1^i	−134.92 (4)	K3^iii—K6—O80W—O8W	114.8 (9)
O6A^i—K1—O6A—K1^i	0.0	K4^x—K6—O80W—O8W	−67.8 (10)
O4A—K1—O6A—K1^i	−119.94 (4)	K5^x—K6—O80W—O8W	−140 (7)
O3W—K1—O6A—K1^i	62.89 (4)	K2—K6—O80W—O8W	134.5 (10)
O3W^i—K1—O6A—K1^i	−57.99 (4)

Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) x, −y+3/2, z−1/2; (iii) x, −y+3/2, z+1/2; (iv) −x+1, y−1/2, −z+3/2; (v) −x+1, −y+1, −z+2; (vi) x−1, y, z; (vii) x+1, −y+3/2, z−1/2; (viii) x+1, y, z; (ix) −x+2, −y+1, −z+1; (x) x−1, −y+3/2, z+1/2; (xi) −x, −y+1, −z+2; (xii) −x+1, y+1/2, −z+3/2.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O3A—H3A···O6B	0.84	1.74	2.5075 (15)	152
O6A—H6A···O3B	0.84	1.67	2.4555 (15)	156
O3B—H3B···O6A	0.84	1.62	2.4555 (15)	173
O6B—H6B···O3A	0.84	1.69	2.5075 (15)	163
O1W—H1W···O3A^ii	0.84	1.93	2.7361 (18)	160
O1W—H2W···O1B^i	0.84	2.53	3.1545 (19)	132
O2W—H3W···O5B^ii	0.84	2.20	3.0061 (18)	162
O2W—H4W···O5A^i	0.84	1.94	2.7772 (17)	172
O3W—H5W···O2B	0.84	1.92	2.7492 (17)	170
O3W—H6W···O4A^i	0.84	2.08	2.9030 (18)	166
O4W—H7W···O6B^iii	0.84	2.09	2.8367 (18)	148
O4W—H8W···O2A^iv	0.84	2.34	3.1002 (19)	150
O5W—H9W···O2B^viii	0.84	1.96	2.7554 (18)	158
O5W—H10W···O2A	0.84	1.95	2.7704 (17)	166
O6W—H11W···O5B^vii	0.84	1.99	2.8033 (17)	164
O6W—H12W···O5A^ii	0.84	1.94	2.7395 (18)	159
O7W—H13W···O2B^i	0.84	1.91	2.7489 (18)	176
O7W—H14W···O5A^ix	0.84	1.94	2.7529 (18)	162
O8W—H15W···O5B^xiii	0.84	1.93	2.767 (2)	175
O8W—H16W···O2A^iv	0.84	1.90	2.737 (2)	173

Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) x, −y+3/2, z−1/2; (iii) x, −y+3/2, z+1/2; (iv) −x+1, y−1/2, −z+3/2; (vii) x+1, −y+3/2, z−1/2; (viii) x+1, y, z; (ix) −x+2, −y+1, −z+1; (xiii) −x, y−1/2, −z+3/2.

(VI) Tetrapotassium hypodiphosphate tetrahydrate

Crystal data

4K^+·O6P2^4^−·4H2O	F(000) = 776
Mr = 386.40	Dx = 2.210 Mg m^−3
Monoclinic, Cc	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: C -2yc	Cell parameters from 6751 reflections
a = 8.097 (3) Å	θ = 3.3–36.8°
b = 12.281 (3) Å	µ = 1.84 mm^−1
c = 11.684 (3) Å	T = 100 K
β = 92.08 (4)°	Block, colourless
V = 1161.1 (6) Å^3	0.14 × 0.13 × 0.05 mm
Z = 4

Data collection

Kuma KM4-CCD κ-geometry diffractometer with a Sapphire CCD camera	3569 independent reflections
Radiation source: Enhance (Mo) X-ray Source	3331 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.023
ω scans	θmax = 36.8°, θmin = 3.3°
Absorption correction: analytical (CrysAlis RED; Oxford Diffraction, 2009)	h = −13→13
Tmin = 0.790, Tmax = 0.917	k = −15→19
7204 measured reflections	l = −19→15

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.024	Only H-atom coordinates refined
wR(F^2) = 0.045	w = 1/[σ^2(Fo^2) + (0.0233P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 1.01	(Δ/σ)max = 0.001
3569 reflections	Δρmax = 0.36 e Å^−3
169 parameters	Δρmin = −0.35 e Å^−3
10 restraints	Absolute structure: Flack (1983), with how many Friedel pairs?
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.02 (3)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
K1	0.46146 (5)	0.46778 (3)	0.74422 (3)	0.01119 (8)
K2	0.19677 (5)	0.61192 (3)	0.48515 (3)	0.01063 (8)
K3	0.46851 (5)	0.87566 (3)	0.30929 (3)	0.01017 (8)
K4	0.82832 (5)	0.69407 (3)	0.27935 (3)	0.00974 (8)
P1	0.60068 (6)	0.66953 (4)	0.53303 (4)	0.00663 (8)
P2	0.74470 (5)	0.51966 (4)	0.52924 (4)	0.00631 (9)
O1	0.52546 (17)	0.68245 (11)	0.41247 (11)	0.0102 (3)
O2	0.47313 (16)	0.65731 (12)	0.62572 (11)	0.0093 (2)
O3	0.72302 (16)	0.76180 (12)	0.56401 (12)	0.0104 (3)
O4	0.88456 (16)	0.53758 (11)	0.44816 (11)	0.0094 (3)
O5	0.80206 (17)	0.49224 (12)	0.65218 (11)	0.0094 (3)
O6	0.62001 (17)	0.43270 (12)	0.48394 (12)	0.0117 (3)
O1W	0.54791 (17)	0.26659 (12)	0.62738 (12)	0.0110 (3)
H1W	0.4490 (10)	0.257 (2)	0.605 (2)	0.017*
H2W	0.567 (3)	0.3194 (13)	0.5843 (17)	0.017*
O2W	0.30307 (17)	0.59320 (13)	0.90686 (12)	0.0123 (3)
H3W	0.275 (3)	0.6416 (15)	0.9530 (17)	0.019*
H4W	0.3992 (13)	0.578 (2)	0.931 (2)	0.019*
O3W	0.13273 (18)	0.45044 (13)	0.67352 (13)	0.0147 (3)
H5W	0.0313 (8)	0.460 (2)	0.659 (2)	0.022*
H6W	0.149 (3)	0.3915 (12)	0.639 (2)	0.022*
O4W	0.15265 (18)	0.77577 (12)	0.32727 (11)	0.0128 (3)
H7W	0.144 (3)	0.8269 (14)	0.3744 (17)	0.019*
H8W	0.120 (3)	0.797 (2)	0.2621 (10)	0.019*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
K1	0.01246 (17)	0.0110 (2)	0.01024 (17)	0.00253 (16)	0.00214 (14)	0.00153 (15)
K2	0.00814 (15)	0.01093 (19)	0.01281 (17)	0.00027 (15)	0.00012 (13)	−0.00042 (15)
K3	0.01151 (17)	0.00906 (19)	0.00992 (17)	0.00156 (15)	0.00027 (13)	0.00016 (14)
K4	0.00972 (16)	0.0099 (2)	0.00957 (16)	−0.00096 (15)	−0.00001 (13)	−0.00048 (14)
P1	0.00649 (18)	0.0073 (2)	0.00614 (18)	0.00021 (17)	0.00041 (14)	0.00011 (16)
P2	0.00609 (18)	0.0066 (2)	0.00628 (19)	−0.00017 (17)	0.00025 (15)	−0.00009 (16)
O1	0.0118 (6)	0.0105 (7)	0.0083 (6)	0.0015 (5)	−0.0014 (5)	0.0004 (5)
O2	0.0084 (5)	0.0106 (7)	0.0091 (6)	0.0009 (5)	0.0026 (5)	0.0009 (5)
O3	0.0089 (6)	0.0086 (7)	0.0136 (6)	0.0001 (5)	−0.0006 (5)	−0.0001 (5)
O4	0.0087 (6)	0.0103 (7)	0.0094 (6)	0.0009 (5)	0.0027 (5)	−0.0008 (5)
O5	0.0099 (6)	0.0101 (7)	0.0082 (6)	0.0010 (5)	−0.0008 (5)	0.0024 (5)
O6	0.0115 (6)	0.0093 (7)	0.0142 (6)	−0.0037 (5)	−0.0020 (5)	−0.0013 (5)
O1W	0.0096 (6)	0.0111 (7)	0.0123 (7)	−0.0013 (5)	−0.0012 (5)	0.0023 (5)
O2W	0.0098 (6)	0.0153 (7)	0.0118 (6)	0.0013 (6)	−0.0001 (5)	−0.0028 (5)
O3W	0.0107 (6)	0.0140 (8)	0.0192 (7)	0.0020 (6)	−0.0017 (5)	−0.0059 (6)
O4W	0.0157 (7)	0.0132 (7)	0.0093 (6)	0.0004 (6)	−0.0008 (5)	−0.0006 (5)

Geometric parameters (Å, º)

P1—P2	2.1803 (8)	K1—K4^ix	4.3137 (11)
P1—O1	1.5226 (14)	K2—K1^iv	3.7301 (15)
P1—O2	1.5308 (15)	K2—K3^xi	3.9725 (11)
P1—O3	1.5396 (15)	K2—K3^ix	4.2768 (16)
P2—O4	1.5186 (15)	K2—K3	4.4589 (12)
P2—O5	1.5310 (14)	K2—K4^ii	3.8961 (17)
P2—O6	1.5495 (15)	K2—K4^ix	4.2850 (11)
K1—O2	2.7117 (15)	K3—K1^iv	4.2858 (12)
K1—O5	3.0113 (18)	K3—K1^vi	4.5195 (15)
K1—O6	3.3713 (18)	K3—K1^v	4.5721 (16)
K1—O1^i	2.7318 (15)	K3—K2^xii	3.9725 (11)
K1—O6^i	3.2750 (18)	K3—K2^vi	4.2768 (16)
K1—O1W	2.9203 (16)	K3—K4	3.6956 (11)
K1—O2W	2.7938 (17)	K3—K4^iii	4.0833 (11)
K1—O3W	2.7664 (19)	K4—K1^iv	3.5853 (11)
K2—O1	2.9528 (18)	K4—K1^vi	4.3137 (11)
K2—O2	2.7837 (18)	K4—K2^viii	3.8961 (17)
K2—O4^ii	2.7077 (17)	K4—K2^vi	4.2850 (11)
K2—O3W	3.0214 (18)	K4—K3^xiii	4.0833 (11)
K2—O1W^iii	2.8227 (16)	O1—K1^iv	2.7318 (15)
K2—O2W^iv	2.8250 (17)	O2—K4^ix	2.8427 (15)
K2—O4W	2.7443 (16)	O4—K3^xiii	2.6700 (15)
K3—O1	2.6937 (15)	O4—K2^viii	2.7077 (17)
K3—O4^iii	2.6700 (15)	O5—K4^i	2.7323 (15)
K3—O5^v	2.7638 (16)	O5—K3^x	2.7638 (16)
K3—O4W	2.8512 (18)	O6—K1^iv	3.2750 (18)
K3—O1W^iv	2.8430 (15)	O1W—K2^xiii	2.8227 (16)
K3—O2W^vi	2.9257 (19)	O1W—K3^i	2.8430 (15)
K3—O3W^vi	2.9998 (17)	O1W—K4^i	2.8720 (19)
K4—O1	2.9546 (18)	O1W—H1W	0.84
K4—O4	2.7797 (15)	O1W—H2W	0.84
K4—O2^vi	2.8427 (16)	O2W—K2^i	2.8250 (17)
K4—O5^iv	2.7323 (15)	O2W—K3^ix	2.9257 (19)
K4—O1W^iv	2.8720 (19)	O2W—K4^ix	3.0180 (17)
K4—O2W^vi	3.0180 (17)	O2W—H3W	0.84
K4—O3W^vii	3.3129 (19)	O2W—H4W	0.84
K4—O4W^viii	2.8478 (18)	O3W—K3^ix	2.9998 (17)
K1—K2^i	3.7301 (15)	O3W—K4^xiv	3.3129 (19)
K1—K2	4.0520 (14)	O3W—H5W	0.84
K1—K3^i	4.2858 (12)	O3W—H6W	0.84
K1—K3^ix	4.5195 (15)	O4W—K4^ii	2.8478 (18)
K1—K3^x	4.5721 (16)	O4W—H7W	0.84
K1—K4^i	3.5853 (11)	O4W—H8W	0.84
O1—P1—O2	114.03 (8)	O1W^iv—K3—K2^xii	136.22 (4)
O1—P1—O3	111.91 (8)	O4W—K3—K2^xii	132.68 (4)
O2—P1—O3	110.53 (8)	O2W^vi—K3—K2^xii	45.27 (3)
O1—P1—P2	105.39 (6)	O3W^vi—K3—K2^xii	63.04 (4)
O2—P1—P2	107.86 (6)	K4—K3—K2^xii	97.83 (3)
O3—P1—P2	106.63 (6)	O4^iii—K3—K4^iii	42.50 (3)
O4—P2—O5	114.17 (8)	O1—K3—K4^iii	157.59 (3)
O4—P2—O6	112.22 (8)	O5^v—K3—K4^iii	41.72 (3)
O5—P2—O6	109.91 (8)	O1W^iv—K3—K4^iii	126.45 (3)
O4—P2—P1	107.57 (6)	O4W—K3—K4^iii	99.85 (4)
O5—P2—P1	108.11 (6)	O2W^vi—K3—K4^iii	99.14 (3)
O6—P2—P1	104.27 (6)	O3W^vi—K3—K4^iii	53.14 (4)
O2—K1—O1^i	159.70 (4)	K4—K3—K4^iii	141.946 (18)
O2—K1—O3W	87.97 (5)	K2^xii—K3—K4^iii	57.83 (2)
O1^i—K1—O3W	108.56 (5)	O5^iv—K4—O4	79.30 (5)
O2—K1—O2W	84.23 (5)	O5^iv—K4—O2^vi	102.71 (5)
O1^i—K1—O2W	87.86 (5)	O4—K4—O2^vi	146.23 (4)
O3W—K1—O2W	77.59 (5)	O5^iv—K4—O4W^viii	117.06 (5)
O2—K1—O1W	118.30 (5)	O4—K4—O4W^viii	88.73 (5)
O1^i—K1—O1W	73.89 (4)	O2^vi—K4—O4W^viii	59.96 (5)
O3W—K1—O1W	92.27 (5)	O5^iv—K4—O1W^iv	76.14 (4)
O2W—K1—O1W	155.26 (4)	O4—K4—O1W^iv	131.34 (5)
O2—K1—O5	71.50 (4)	O2^vi—K4—O1W^iv	80.59 (5)
O1^i—K1—O5	99.91 (5)	O4W^viii—K4—O1W^iv	139.91 (5)
O3W—K1—O5	141.70 (5)	O5^iv—K4—O1	101.31 (4)
O2W—K1—O5	129.56 (5)	O4—K4—O1	73.19 (4)
O1W—K1—O5	71.29 (4)	O2^vi—K4—O1	137.11 (4)
O2—K1—O6^i	95.54 (4)	O4W^viii—K4—O1	133.68 (4)
O1^i—K1—O6^i	65.06 (4)	O1W^iv—K4—O1	71.40 (5)
O3W—K1—O6^i	128.84 (5)	O5^iv—K4—O2W^vi	171.12 (4)
O2W—K1—O6^i	52.26 (4)	O4—K4—O2W^vi	105.10 (4)
O1W—K1—O6^i	128.49 (4)	O2^vi—K4—O2W^vi	78.04 (4)
O5—K1—O6^i	86.13 (5)	O4W^viii—K4—O2W^vi	71.12 (4)
O2—K1—O6	68.14 (4)	O1W^iv—K4—O2W^vi	95.36 (4)
O1^i—K1—O6	119.62 (4)	O1—K4—O2W^vi	73.12 (4)
O3W—K1—O6	96.58 (5)	O5^iv—K4—O3W^vii	52.60 (4)
O2W—K1—O6	152.04 (4)	O4—K4—O3W^vii	77.85 (5)
O1W—K1—O6	50.55 (4)	O2^vi—K4—O3W^vii	77.22 (5)
O5—K1—O6	46.12 (4)	O4W^viii—K4—O3W^vii	64.46 (5)
O6^i—K1—O6	131.98 (5)	O1W^iv—K4—O3W^vii	116.20 (5)
O2—K1—K4^i	119.36 (4)	O1—K4—O3W^vii	144.44 (4)
O1^i—K1—K4^i	53.73 (4)	O2W^vi—K4—O3W^vii	135.45 (4)
O3W—K1—K4^i	140.87 (4)	O5^iv—K4—K1^iv	54.95 (4)
O2W—K1—K4^i	128.80 (4)	O4—K4—K1^iv	79.14 (4)
O1W—K1—K4^i	51.15 (3)	O2^vi—K4—K1^iv	129.99 (4)
O5—K1—K4^i	47.97 (3)	O4W^viii—K4—K1^iv	166.43 (3)
O6^i—K1—K4^i	79.14 (4)	O1W^iv—K4—K1^iv	52.37 (4)
O6—K1—K4^i	72.02 (4)	O1—K4—K1^iv	48.20 (3)
P2—K1—K4^i	67.88 (3)	O2W^vi—K4—K1^iv	117.76 (4)
O2—K1—K2^i	129.96 (3)	O3W^vii—K4—K1^iv	106.55 (4)
O1^i—K1—K2^i	51.60 (3)	O5^iv—K4—K3	120.72 (4)
O3W—K1—K2^i	68.42 (4)	O4—K4—K3	117.35 (4)
O2W—K1—K2^i	48.77 (4)	O2^vi—K4—K3	90.97 (4)
O1W—K1—K2^i	106.55 (3)	O4W^viii—K4—K3	119.56 (4)
O5—K1—K2^i	148.70 (3)	O1W^iv—K4—K3	49.37 (3)
O6^i—K1—K2^i	70.77 (3)	O1—K4—K3	46.14 (3)
O6—K1—K2^i	153.54 (3)	O2W^vi—K4—K3	50.44 (3)
P2—K1—K2^i	173.214 (16)	O3W^vii—K4—K3	163.41 (3)
K4^i—K1—K2^i	105.34 (3)	K1^iv—K4—K3	72.10 (3)
P1—K1—K2^i	151.163 (17)	P1—O1—K3	124.20 (7)
O4^ii—K2—O4W	92.40 (5)	P1—O1—K1^iv	130.88 (8)
O4^ii—K2—O2	152.57 (4)	K3—O1—K1^iv	104.36 (5)
O4W—K2—O2	109.39 (5)	P1—O1—K2	92.17 (7)
O4^ii—K2—O1W^iii	84.53 (5)	K3—O1—K2	104.22 (5)
O4W—K2—O1W^iii	81.63 (5)	K1^iv—O1—K2	81.92 (5)
O2—K2—O1W^iii	82.48 (5)	P1—O1—K4	100.39 (7)
O4^ii—K2—O2W^iv	86.64 (5)	K3—O1—K4	81.59 (4)
O4W—K2—O2W^iv	118.03 (5)	K1^iv—O1—K4	78.07 (4)
O2—K2—O2W^iv	96.99 (5)	K2—O1—K4	159.97 (5)
O1W^iii—K2—O2W^iv	158.80 (4)	P1—O2—K1	118.84 (7)
O4^ii—K2—O1	154.03 (4)	P1—O2—K2	98.67 (7)
O4W—K2—O1	71.84 (5)	K1—O2—K2	95.00 (5)
O2—K2—O1	52.94 (4)	P1—O2—K4^ix	133.48 (8)
O1W^iii—K2—O1	112.37 (5)	K1—O2—K4^ix	101.88 (5)
O2W^iv—K2—O1	83.11 (4)	K2—O2—K4^ix	99.20 (5)
O4^ii—K2—O3W	73.20 (5)	P2—O4—K3^xiii	118.90 (8)
O4W—K2—O3W	161.68 (5)	P2—O4—K2^viii	131.48 (8)
O2—K2—O3W	81.79 (5)	K3^xiii—O4—K2^viii	95.24 (5)
O1W^iii—K2—O3W	85.68 (5)	P2—O4—K4	115.86 (7)
O2W^iv—K2—O3W	73.32 (5)	K3^xiii—O4—K4	97.04 (5)
O1—K2—O3W	125.62 (5)	K2^viii—O4—K4	90.46 (5)
O4^ii—K2—K1^iv	110.47 (4)	P2—O5—K4^i	135.18 (8)
O4W—K2—K1^iv	75.49 (4)	P2—O5—K3^x	128.18 (8)
O2—K2—K1^iv	91.50 (4)	K4^i—O5—K3^x	95.96 (5)
O1W^iii—K2—K1^iv	152.90 (3)	P2—O5—K1	96.11 (7)
O2W^iv—K2—K1^iv	48.05 (3)	K4^i—O5—K1	77.08 (4)
O1—K2—K1^iv	46.48 (3)	K3^x—O5—K1	104.61 (5)
O3W—K2—K1^iv	119.74 (4)	P2—O6—K1^iv	105.38 (7)
O4^ii—K2—K4^ii	45.51 (4)	P2—O6—K1	82.45 (6)
O4W—K2—K4^ii	46.94 (3)	K1^iv—O6—K1	124.99 (5)
O2—K2—K4^ii	153.31 (4)	K2^xiii—O1W—K3^i	98.02 (5)
O1W^iii—K2—K4^ii	81.68 (4)	K2^xiii—O1W—K4^i	97.60 (5)
O2W^iv—K2—K4^ii	105.46 (3)	K3^i—O1W—K4^i	80.58 (4)
O1—K2—K4^ii	115.12 (4)	K2^xiii—O1W—K1	163.60 (5)
O3W—K2—K4^ii	118.15 (4)	K3^i—O1W—K1	96.08 (5)
K1^iv—K2—K4^ii	92.88 (3)	K4^i—O1W—K1	76.48 (4)
O4^ii—K2—K3^xi	42.01 (3)	K2^xiii—O1W—H1W	98.6 (18)
O4W—K2—K3^xi	98.11 (4)	K3^i—O1W—H1W	84.4 (18)
O2—K2—K3^xi	143.17 (3)	K4^i—O1W—H1W	159.3 (17)
O1W^iii—K2—K3^xi	126.54 (4)	K1—O1W—H1W	91.1 (18)
O2W^iv—K2—K3^xi	47.37 (3)	K2^xiii—O1W—H2W	94.3 (17)
O1—K2—K3^xi	118.21 (3)	K3^i—O1W—H2W	167.3 (17)
O3W—K2—K3^xi	78.96 (4)	K4^i—O1W—H2W	94.6 (18)
K1^iv—K2—K3^xi	71.78 (2)	K1—O1W—H2W	71.3 (17)
K4^ii—K2—K3^xi	62.51 (2)	H1W—O1W—H2W	97 (3)
O4^ii—K2—K1	115.93 (4)	K1—O2W—K2^i	83.19 (5)
O4W—K2—K1	151.03 (3)	K1—O2W—K3^ix	104.38 (5)
O2—K2—K1	41.81 (3)	K2^i—O2W—K3^ix	87.36 (4)
O1W^iii—K2—K1	94.58 (4)	K1—O2W—K4^ix	95.77 (5)
O2W^iv—K2—K1	72.13 (3)	K2^i—O2W—K4^ix	163.46 (6)
O1—K2—K1	83.41 (4)	K3^ix—O2W—K4^ix	76.87 (4)
O3W—K2—K1	43.04 (3)	K1—O2W—H3W	165.8 (18)
K1^iv—K2—K1	98.41 (2)	K2^i—O2W—H3W	109.3 (18)
K4^ii—K2—K1	161.188 (17)	K3^ix—O2W—H3W	83.5 (18)
K3^xi—K2—K1	106.91 (3)	K4^ix—O2W—H3W	74.3 (18)
O4^iii—K3—O1	115.30 (5)	K1—O2W—H4W	70.3 (18)
O4^iii—K3—O5^v	80.66 (4)	K2^i—O2W—H4W	88.8 (18)
O1—K3—O5^v	152.34 (4)	K3^ix—O2W—H4W	173.8 (19)
O4^iii—K3—O1W^iv	168.95 (4)	K4^ix—O2W—H4W	106.5 (19)
O1—K3—O1W^iv	75.73 (4)	H3W—O2W—H4W	102 (3)
O5^v—K3—O1W^iv	88.98 (5)	K1—O3W—K3^ix	103.15 (5)
O4^iii—K3—O4W	91.54 (5)	K1—O3W—K2	88.76 (5)
O1—K3—O4W	74.18 (5)	K3^ix—O3W—K2	90.52 (5)
O5^v—K3—O4W	83.36 (5)	K1—O3W—K4^xiv	130.59 (6)
O1W^iv—K3—O4W	91.06 (5)	K3^ix—O3W—K4^xiv	80.44 (5)
O4^iii—K3—O2W^vi	85.32 (5)	K2—O3W—K4^xiv	140.64 (6)
O1—K3—O2W^vi	78.45 (5)	K1—O3W—H5W	166.1 (19)
O5^v—K3—O2W^vi	127.18 (5)	K3^ix—O3W—H5W	63.6 (19)
O1W^iv—K3—O2W^vi	98.07 (5)	K2—O3W—H5W	87.4 (19)
O4W—K3—O2W^vi	147.98 (4)	K4^xiv—O3W—H5W	54.2 (19)
O4^iii—K3—O3W^vi	85.33 (5)	K1—O3W—H6W	92.4 (19)
O1—K3—O3W^vi	142.36 (5)	K3^ix—O3W—H6W	161.1 (19)
O5^v—K3—O3W^vi	56.34 (5)	K2—O3W—H6W	100.6 (19)
O1W^iv—K3—O3W^vi	85.73 (5)	K4^xiv—O3W—H6W	81.3 (19)
O4W—K3—O3W^vi	139.58 (5)	H5W—O3W—H6W	101 (3)
O2W^vi—K3—O3W^vi	72.01 (5)	K2—O4W—K4^ii	88.31 (5)
O4^iii—K3—K4	136.55 (4)	K2—O4W—K3	105.65 (6)
O1—K3—K4	52.27 (4)	K4^ii—O4W—K3	163.81 (6)
O5^v—K3—K4	131.18 (4)	K2—O4W—H7W	96.9 (18)
O1W^iv—K3—K4	50.05 (4)	K4^ii—O4W—H7W	107 (2)
O4W—K3—K4	117.37 (4)	K3—O4W—H7W	80 (2)
O2W^vi—K3—K4	52.69 (4)	K2—O4W—H8W	150.5 (18)
O3W^vi—K3—K4	90.77 (4)	K4^ii—O4W—H8W	71.1 (19)
O4^iii—K3—K2^xii	42.75 (3)	K3—O4W—H8W	92.9 (19)
O1—K3—K2^xii	110.06 (4)	H7W—O4W—H8W	109 (3)
O5^v—K3—K2^xii	96.97 (4)
O1—P1—P2—O4	64.89 (9)	O3—P1—O2—K2	142.03 (6)
O2—P1—P2—O4	−172.94 (8)	P2—P1—O2—K2	−101.76 (5)
O3—P1—P2—O4	−54.20 (8)	O1—P1—O2—K4^ix	−96.65 (11)
O1—P1—P2—O5	−171.37 (8)	O3—P1—O2—K4^ix	30.46 (12)
O2—P1—P2—O5	−49.20 (9)	P2—P1—O2—K4^ix	146.67 (8)
O3—P1—P2—O5	69.54 (9)	O1^i—K1—O2—P1	91.45 (14)
O1—P1—P2—O6	−54.44 (9)	O3W—K1—O2—P1	−123.25 (9)
O2—P1—P2—O6	67.74 (9)	O2W—K1—O2—P1	159.03 (8)
O3—P1—P2—O6	−173.53 (8)	O1W—K1—O2—P1	−31.76 (10)
O2—K1—K2—O4^ii	−159.50 (5)	O5—K1—O2—P1	23.89 (8)
O1^i—K1—K2—O4^ii	8.38 (9)	O6^i—K1—O2—P1	107.92 (8)
O3W—K1—K2—O4^ii	−7.47 (5)	O6—K1—O2—P1	−25.33 (7)
O2W—K1—K2—O4^ii	−79.43 (5)	K4^i—K1—O2—P1	27.28 (9)
O1W—K1—K2—O4^ii	77.85 (5)	K2^i—K1—O2—P1	177.41 (6)
O5—K1—K2—O4^ii	150.13 (4)	O1^i—K1—O2—K2	−165.78 (10)
O6^i—K1—K2—O4^ii	−117.19 (5)	O3W—K1—O2—K2	−20.48 (4)
O6—K1—K2—O4^ii	117.28 (5)	O2W—K1—O2—K2	−98.21 (5)
K4^i—K1—K2—O4^ii	116.78 (4)	O1W—K1—O2—K2	71.01 (6)
K2^i—K1—K2—O4^ii	−34.00 (4)	O5—K1—O2—K2	126.65 (5)
O2—K1—K2—O4W	7.60 (8)	O6^i—K1—O2—K2	−149.31 (4)
O1^i—K1—K2—O4W	175.48 (10)	O6—K1—O2—K2	77.44 (5)
O3W—K1—K2—O4W	159.63 (8)	K4^i—K1—O2—K2	130.05 (3)
O2W—K1—K2—O4W	87.67 (8)	K2^i—K1—O2—K2	−79.83 (5)
O1W—K1—K2—O4W	−115.05 (8)	O1^i—K1—O2—K4^ix	−65.27 (13)
O5—K1—K2—O4W	−42.77 (8)	O3W—K1—O2—K4^ix	80.04 (6)
O6^i—K1—K2—O4W	49.91 (8)	O2W—K1—O2—K4^ix	2.31 (5)
O6—K1—K2—O4W	−75.62 (8)	O1W—K1—O2—K4^ix	171.53 (4)
K4^i—K1—K2—O4W	−76.12 (8)	O5—K1—O2—K4^ix	−132.83 (6)
K2^i—K1—K2—O4W	133.10 (7)	O6^i—K1—O2—K4^ix	−48.80 (5)
O1^i—K1—K2—O2	167.88 (9)	O6—K1—O2—K4^ix	177.95 (5)
O3W—K1—K2—O2	152.03 (6)	K4^i—K1—O2—K4^ix	−129.43 (4)
O2W—K1—K2—O2	80.07 (6)	K2^i—K1—O2—K4^ix	20.69 (6)
O1W—K1—K2—O2	−122.65 (6)	O4^ii—K2—O2—P1	163.33 (7)
O5—K1—K2—O2	−50.37 (5)	O4W—K2—O2—P1	−55.90 (8)
O6^i—K1—K2—O2	42.31 (6)	O1W^iii—K2—O2—P1	−134.23 (7)
O6—K1—K2—O2	−83.22 (5)	O2W^iv—K2—O2—P1	67.13 (7)
K4^i—K1—K2—O2	−83.72 (5)	O1—K2—O2—P1	−8.74 (5)
K2^i—K1—K2—O2	125.50 (4)	O3W—K2—O2—P1	139.08 (7)
O2—K1—K2—O1W^iii	−73.36 (6)	K1^iv—K2—O2—P1	19.24 (6)
O1^i—K1—K2—O1W^iii	94.52 (9)	K4^ii—K2—O2—P1	−80.20 (9)
O3W—K1—K2—O1W^iii	78.67 (6)	K3^xi—K2—O2—P1	80.11 (8)
O2W—K1—K2—O1W^iii	6.71 (4)	K1—K2—O2—P1	120.21 (8)
O1W—K1—K2—O1W^iii	163.99 (6)	O4^ii—K2—O2—K1	43.12 (11)
O5—K1—K2—O1W^iii	−123.74 (5)	O4W—K2—O2—K1	−176.11 (4)
O6^i—K1—K2—O1W^iii	−31.05 (5)	O1W^iii—K2—O2—K1	105.56 (5)
O6—K1—K2—O1W^iii	−156.58 (4)	O2W^iv—K2—O2—K1	−53.07 (5)
K4^i—K1—K2—O1W^iii	−157.08 (3)	O1—K2—O2—K1	−128.95 (6)
K2^i—K1—K2—O1W^iii	52.14 (4)	O3W—K2—O2—K1	18.87 (4)
O2—K1—K2—O2W^iv	123.52 (6)	K1^iv—K2—O2—K1	−100.97 (3)
O1^i—K1—K2—O2W^iv	−68.60 (9)	K4^ii—K2—O2—K1	159.59 (4)
O3W—K1—K2—O2W^iv	−84.45 (6)	K3^xi—K2—O2—K1	−40.10 (7)
O2W—K1—K2—O2W^iv	−156.41 (5)	O4^ii—K2—O2—K4^ix	−59.80 (11)
O1W—K1—K2—O2W^iv	0.88 (4)	O4W—K2—O2—K4^ix	80.97 (5)
O5—K1—K2—O2W^iv	73.15 (5)	O1W^iii—K2—O2—K4^ix	2.64 (4)
O6^i—K1—K2—O2W^iv	165.83 (5)	O2W^iv—K2—O2—K4^ix	−155.99 (4)
O6—K1—K2—O2W^iv	40.30 (4)	O1—K2—O2—K4^ix	128.14 (6)
K4^i—K1—K2—O2W^iv	39.80 (4)	O3W—K2—O2—K4^ix	−84.05 (5)
K2^i—K1—K2—O2W^iv	−110.97 (4)	K1^iv—K2—O2—K4^ix	156.12 (3)
O2—K1—K2—O1	38.66 (5)	K4^ii—K2—O2—K4^ix	56.67 (8)
O1^i—K1—K2—O1	−153.46 (8)	K3^xi—K2—O2—K4^ix	−143.01 (3)
O3W—K1—K2—O1	−169.31 (5)	K1—K2—O2—K4^ix	−102.92 (5)
O2W—K1—K2—O1	118.73 (5)	O5—P2—O4—K3^xiii	99.60 (9)
O1W—K1—K2—O1	−83.98 (5)	O6—P2—O4—K3^xiii	−26.32 (10)
O5—K1—K2—O1	−11.71 (4)	K1—P2—O4—K3^xiii	93.3 (4)
O6^i—K1—K2—O1	80.97 (5)	K4—P2—O4—K3^xiii	−115.03 (10)
O6—K1—K2—O1	−44.56 (4)	O5—P2—O4—K2^viii	−29.23 (13)
K4^i—K1—K2—O1	−45.06 (4)	O6—P2—O4—K2^viii	−155.16 (9)
K2^i—K1—K2—O1	164.17 (3)	P1—P2—O4—K2^viii	90.73 (9)
O2—K1—K2—O3W	−152.03 (6)	K1—P2—O4—K2^viii	−35.5 (5)
O1^i—K1—K2—O3W	15.85 (9)	K3^xiii—P2—O4—K2^viii	−128.84 (13)
O2W—K1—K2—O3W	−71.96 (6)	K4—P2—O4—K2^viii	116.14 (12)
O1W—K1—K2—O3W	85.32 (6)	O5—P2—O4—K4	−145.37 (8)
O5—K1—K2—O3W	157.59 (5)	O6—P2—O4—K4	88.71 (9)
O6^i—K1—K2—O3W	−109.72 (6)	P1—P2—O4—K4	−25.40 (8)
O6—K1—K2—O3W	124.75 (6)	K1—P2—O4—K4	−151.7 (4)
K4^i—K1—K2—O3W	124.25 (5)	K3^xiii—P2—O4—K4	115.03 (10)
K2^i—K1—K2—O3W	−26.53 (4)	O5^iv—K4—O4—P2	−106.68 (8)
O2—K1—K2—K1^iv	82.78 (5)	O2^vi—K4—O4—P2	156.41 (7)
O1^i—K1—K2—K1^iv	−109.34 (8)	O4W^viii—K4—O4—P2	135.46 (8)
O3W—K1—K2—K1^iv	−125.18 (5)	O1W^iv—K4—O4—P2	−46.07 (10)
O2W—K1—K2—K1^iv	162.86 (3)	O1—K4—O4—P2	−1.28 (7)
O1W—K1—K2—K1^iv	−39.86 (3)	O2W^vi—K4—O4—P2	65.41 (8)
O5—K1—K2—K1^iv	32.41 (3)	O3W^vii—K4—O4—P2	−160.41 (8)
O6^i—K1—K2—K1^iv	125.10 (4)	K1^iv—K4—O4—P2	−50.66 (7)
O6—K1—K2—K1^iv	−0.44 (3)	K3—K4—O4—P2	12.50 (9)
K4^i—K1—K2—K1^iv	−0.93 (2)	O5^iv—K4—O4—K3^xiii	20.26 (4)
K2^i—K1—K2—K1^iv	−151.71 (2)	O2^vi—K4—O4—K3^xiii	−76.66 (8)
O2—K1—K2—K4^ii	−150.94 (6)	O4W^viii—K4—O4—K3^xiii	−97.60 (5)
O1^i—K1—K2—K4^ii	16.94 (10)	O1W^iv—K4—O4—K3^xiii	80.86 (7)
O3W—K1—K2—K4^ii	1.09 (6)	O1—K4—O4—K3^xiii	125.66 (5)
O2W—K1—K2—K4^ii	−70.87 (6)	O2W^vi—K4—O4—K3^xiii	−167.66 (4)
O1W—K1—K2—K4^ii	86.42 (6)	O3W^vii—K4—O4—K3^xiii	−33.48 (4)
O5—K1—K2—K4^ii	158.69 (5)	K1^iv—K4—O4—K3^xiii	76.28 (4)
O6^i—K1—K2—K4^ii	−108.63 (6)	K3—K4—O4—K3^xiii	139.43 (3)
O6—K1—K2—K4^ii	125.84 (5)	O5^iv—K4—O4—K2^viii	115.59 (5)
K4^i—K1—K2—K4^ii	125.34 (4)	O2^vi—K4—O4—K2^viii	18.68 (9)
K2^i—K1—K2—K4^ii	−25.43 (5)	O4W^viii—K4—O4—K2^viii	−2.27 (4)
O2—K1—K2—K3^xi	156.20 (4)	O1W^iv—K4—O4—K2^viii	176.20 (4)
O1^i—K1—K2—K3^xi	−35.92 (8)	O1—K4—O4—K2^viii	−139.01 (5)
O3W—K1—K2—K3^xi	−51.77 (4)	O2W^vi—K4—O4—K2^viii	−72.32 (5)
O2W—K1—K2—K3^xi	−123.73 (4)	O3W^vii—K4—O4—K2^viii	61.86 (4)
O1W—K1—K2—K3^xi	33.55 (3)	K1^iv—K4—O4—K2^viii	171.61 (3)
O5—K1—K2—K3^xi	105.82 (3)	K3—K4—O4—K2^viii	−125.23 (3)
O6^i—K1—K2—K3^xi	−161.49 (4)	O4—P2—O5—K4^i	−101.22 (11)
O6—K1—K2—K3^xi	72.98 (3)	O6—P2—O5—K4^i	25.91 (13)
K4^i—K1—K2—K3^xi	72.48 (3)	P1—P2—O5—K4^i	139.12 (8)
K2^i—K1—K2—K3^xi	−78.298 (19)	O4—P2—O5—K3^x	66.97 (11)
O4^iii—K3—K4—O5^iv	163.47 (6)	O6—P2—O5—K3^x	−165.91 (8)
O1—K3—K4—O5^iv	75.25 (5)	P1—P2—O5—K3^x	−52.69 (9)
O5^v—K3—K4—O5^iv	−68.95 (5)	O4—P2—O5—K1	−179.02 (6)
O1W^iv—K3—K4—O5^iv	−28.73 (5)	O6—P2—O5—K1	−51.90 (8)
O4W—K3—K4—O5^iv	37.30 (5)	P1—P2—O5—K1	61.32 (5)
O2W^vi—K3—K4—O5^iv	−179.00 (5)	K3^xiii—P2—O5—K1	−135.21 (3)
O3W^vi—K3—K4—O5^iv	−112.50 (5)	O2—K1—O5—P2	−48.97 (6)
K2^xii—K3—K4—O5^iv	−175.39 (4)	O1^i—K1—O5—P2	150.03 (7)
K4^iii—K3—K4—O5^iv	−129.53 (4)	O3W—K1—O5—P2	12.09 (11)
O4^iii—K3—K4—O4	69.79 (5)	O2W—K1—O5—P2	−114.51 (7)
O1—K3—K4—O4	−18.43 (5)	O1W—K1—O5—P2	80.91 (7)
O5^v—K3—K4—O4	−162.63 (5)	O6^i—K1—O5—P2	−146.13 (7)
O1W^iv—K3—K4—O4	−122.41 (5)	O6—K1—O5—P2	28.15 (5)
O4W—K3—K4—O4	−56.39 (5)	K4^i—K1—O5—P2	135.02 (8)
O2W^vi—K3—K4—O4	87.31 (5)	K2^i—K1—O5—P2	172.17 (4)
O3W^vi—K3—K4—O4	153.82 (5)	O2—K1—O5—K4^i	176.01 (5)
K2^xii—K3—K4—O4	90.93 (4)	O1^i—K1—O5—K4^i	15.01 (4)
K4^iii—K3—K4—O4	136.79 (4)	O3W—K1—O5—K4^i	−122.93 (7)
O4^iii—K3—K4—O2^vi	−91.10 (6)	O2W—K1—O5—K4^i	110.47 (6)
O1—K3—K4—O2^vi	−179.32 (5)	O1W—K1—O5—K4^i	−54.11 (4)
O5^v—K3—K4—O2^vi	36.48 (5)	O6^i—K1—O5—K4^i	78.85 (4)
O1W^iv—K3—K4—O2^vi	76.71 (5)	O6—K1—O5—K4^i	−106.87 (6)
O4W—K3—K4—O2^vi	142.73 (4)	K2^i—K1—O5—K4^i	37.15 (7)
O2W^vi—K3—K4—O2^vi	−73.57 (5)	O2—K1—O5—K3^x	83.12 (5)
O3W^vi—K3—K4—O2^vi	−7.07 (4)	O1^i—K1—O5—K3^x	−77.88 (5)
K2^xii—K3—K4—O2^vi	−69.96 (3)	O3W—K1—O5—K3^x	144.18 (6)
K4^iii—K3—K4—O2^vi	−24.09 (4)	O2W—K1—O5—K3^x	17.58 (7)
O4^iii—K3—K4—O4W^viii	−35.56 (6)	O1W—K1—O5—K3^x	−146.99 (5)
O1—K3—K4—O4W^viii	−123.78 (5)	O6^i—K1—O5—K3^x	−14.03 (4)
O5^v—K3—K4—O4W^viii	92.01 (6)	O6—K1—O5—K3^x	160.24 (7)
O1W^iv—K3—K4—O4W^viii	132.24 (6)	K4^i—K1—O5—K3^x	−92.89 (5)
O4W—K3—K4—O4W^viii	−161.74 (6)	K2^i—K1—O5—K3^x	−55.74 (8)
O2W^vi—K3—K4—O4W^viii	−18.04 (5)	O4—P2—O6—K1^iv	−62.66 (9)
O3W^vi—K3—K4—O4W^viii	48.46 (5)	O5—P2—O6—K1^iv	169.13 (6)
K2^xii—K3—K4—O4W^viii	−14.42 (4)	P1—P2—O6—K1^iv	53.46 (6)
K4^iii—K3—K4—O4W^viii	31.44 (5)	O4—P2—O6—K1	173.04 (6)
O4^iii—K3—K4—O1W^iv	−167.80 (6)	O5—P2—O6—K1	44.83 (7)
O1—K3—K4—O1W^iv	103.98 (6)	P1—P2—O6—K1	−70.84 (4)
O5^v—K3—K4—O1W^iv	−40.22 (6)	O2—K1—O6—P2	57.05 (6)
O4W—K3—K4—O1W^iv	66.02 (5)	O1^i—K1—O6—P2	−102.08 (7)
O2W^vi—K3—K4—O1W^iv	−150.28 (6)	O3W—K1—O6—P2	142.19 (6)
O3W^vi—K3—K4—O1W^iv	−83.78 (5)	O2W—K1—O6—P2	66.32 (11)
K2^xii—K3—K4—O1W^iv	−146.66 (4)	O1W—K1—O6—P2	−130.29 (8)
K4^iii—K3—K4—O1W^iv	−100.80 (5)	O5—K1—O6—P2	−27.87 (5)
O4^iii—K3—K4—O1	88.22 (6)	O6^i—K1—O6—P2	−20.18 (7)
O5^v—K3—K4—O1	−144.20 (6)	K4^i—K1—O6—P2	−76.23 (6)
O1W^iv—K3—K4—O1	−103.98 (6)	K2^i—K1—O6—P2	−164.63 (4)
O4W—K3—K4—O1	−37.95 (5)	O2—K1—O6—K1^iv	−46.48 (5)
O2W^vi—K3—K4—O1	105.74 (5)	O1^i—K1—O6—K1^iv	154.40 (5)
O3W^vi—K3—K4—O1	172.25 (5)	O3W—K1—O6—K1^iv	38.67 (6)
K2^xii—K3—K4—O1	109.36 (4)	O2W—K1—O6—K1^iv	−37.20 (11)
K4^iii—K3—K4—O1	155.22 (5)	O1W—K1—O6—K1^iv	126.19 (7)
O4^iii—K3—K4—O2W^vi	−17.52 (6)	O5—K1—O6—K1^iv	−131.39 (8)
O1—K3—K4—O2W^vi	−105.74 (5)	O6^i—K1—O6—K1^iv	−123.70 (7)
O5^v—K3—K4—O2W^vi	110.05 (6)	K4^i—K1—O6—K1^iv	−179.75 (5)
O1W^iv—K3—K4—O2W^vi	150.28 (6)	P1—K1—O6—K1^iv	−58.26 (4)
O4W—K3—K4—O2W^vi	−143.70 (5)	K2^i—K1—O6—K1^iv	91.85 (8)
O3W^vi—K3—K4—O2W^vi	66.50 (5)	O2—K1—O1W—K2^xiii	35.9 (2)
K2^xii—K3—K4—O2W^vi	3.62 (4)	O1^i—K1—O1W—K2^xiii	−126.5 (2)
K4^iii—K3—K4—O2W^vi	49.48 (4)	O3W—K1—O1W—K2^xiii	124.8 (2)
O4^iii—K3—K4—O3W^vii	−135.21 (11)	O2W—K1—O1W—K2^xiii	−170.50 (15)
O1—K3—K4—O3W^vii	136.57 (11)	O5—K1—O1W—K2^xiii	−19.84 (19)
O5^v—K3—K4—O3W^vii	−7.63 (12)	O6^i—K1—O1W—K2^xiii	−88.7 (2)
O1W^iv—K3—K4—O3W^vii	32.59 (11)	O6—K1—O1W—K2^xiii	28.18 (18)
O4W—K3—K4—O3W^vii	98.62 (11)	K4^i—K1—O1W—K2^xiii	−70.42 (19)
O2W^vi—K3—K4—O3W^vii	−117.69 (11)	K2^i—K1—O1W—K2^xiii	−167.02 (19)
O3W^vi—K3—K4—O3W^vii	−51.18 (9)	O2—K1—O1W—K3^i	−174.91 (4)
K2^xii—K3—K4—O3W^vii	−114.07 (11)	O1^i—K1—O1W—K3^i	22.68 (4)
K4^iii—K3—K4—O3W^vii	−68.21 (11)	O3W—K1—O1W—K3^i	−85.99 (6)
O4^iii—K3—K4—K1^iv	136.84 (5)	O2W—K1—O1W—K3^i	−21.32 (12)
O1—K3—K4—K1^iv	48.62 (4)	O5—K1—O1W—K3^i	129.35 (5)
O5^v—K3—K4—K1^iv	−95.59 (5)	O6^i—K1—O1W—K3^i	60.46 (6)
O1W^iv—K3—K4—K1^iv	−55.36 (4)	O6—K1—O1W—K3^i	177.36 (6)
O4W—K3—K4—K1^iv	10.66 (3)	K4^i—K1—O1W—K3^i	78.76 (4)
O2W^vi—K3—K4—K1^iv	154.36 (4)	K2^i—K1—O1W—K3^i	−17.84 (4)
O3W^vi—K3—K4—K1^iv	−139.14 (4)	O2—K1—O1W—K4^i	106.33 (5)
K2^xii—K3—K4—K1^iv	157.978 (14)	O1^i—K1—O1W—K4^i	−56.08 (4)
K4^iii—K3—K4—K1^iv	−156.16 (2)	O3W—K1—O1W—K4^i	−164.75 (4)
O2—P1—O1—K3	94.95 (10)	O2W—K1—O1W—K4^i	−100.07 (10)
O3—P1—O1—K3	−31.44 (11)	O5—K1—O1W—K4^i	50.59 (4)
P2—P1—O1—K3	−146.95 (6)	O6^i—K1—O1W—K4^i	−18.29 (6)
O2—P1—O1—K1^iv	−95.07 (11)	O6—K1—O1W—K4^i	98.60 (5)
O3—P1—O1—K1^iv	138.54 (9)	K2^i—K1—O1W—K4^i	−96.60 (4)
P2—P1—O1—K1^iv	23.03 (10)	O2—K1—O2W—K2^i	161.25 (4)
O2—P1—O1—K2	−13.89 (8)	O1^i—K1—O2W—K2^i	−37.46 (4)
O3—P1—O1—K2	−140.28 (6)	O3W—K1—O2W—K2^i	72.07 (5)
P2—P1—O1—K2	104.21 (4)	O1W—K1—O2W—K2^i	4.43 (12)
O2—P1—O1—K4	−178.22 (6)	O5—K1—O2W—K2^i	−138.56 (4)
O3—P1—O1—K4	55.39 (8)	O6^i—K1—O2W—K2^i	−97.16 (5)
P2—P1—O1—K4	−60.12 (5)	O6—K1—O2W—K2^i	152.61 (7)
O4^iii—K3—O1—P1	−33.62 (10)	K4^i—K1—O2W—K2^i	−75.31 (5)
O5^v—K3—O1—P1	−154.63 (8)	O2—K1—O2W—K3^ix	75.75 (5)
O1W^iv—K3—O1—P1	147.03 (10)	O1^i—K1—O2W—K3^ix	−122.97 (5)
O4W—K3—O1—P1	−117.70 (10)	O3W—K1—O2W—K3^ix	−13.44 (5)
O2W^vi—K3—O1—P1	45.51 (9)	O1W—K1—O2W—K3^ix	−81.07 (11)
O3W^vi—K3—O1—P1	84.12 (11)	O5—K1—O2W—K3^ix	135.94 (5)
K4—K3—O1—P1	96.89 (10)	O6^i—K1—O2W—K3^ix	177.34 (7)
K2^xii—K3—O1—P1	12.59 (10)	O6—K1—O2W—K3^ix	67.11 (10)
K4^iii—K3—O1—P1	−40.45 (15)	K4^i—K1—O2W—K3^ix	−160.81 (3)
O4^iii—K3—O1—K1^iv	154.19 (4)	K2^i—K1—O2W—K3^ix	−85.50 (5)
O5^v—K3—O1—K1^iv	33.17 (11)	O2—K1—O2W—K4^ix	−2.14 (4)
O1W^iv—K3—O1—K1^iv	−25.17 (4)	O1^i—K1—O2W—K4^ix	159.14 (4)
O4W—K3—O1—K1^iv	70.10 (6)	O3W—K1—O2W—K4^ix	−91.33 (5)
O2W^vi—K3—O1—K1^iv	−126.69 (6)	O1W—K1—O2W—K4^ix	−158.96 (9)
O3W^vi—K3—O1—K1^iv	−88.07 (8)	O5—K1—O2W—K4^ix	58.04 (7)
K4—K3—O1—K1^iv	−75.31 (5)	O6^i—K1—O2W—K4^ix	99.45 (6)
K2^xii—K3—O1—K1^iv	−159.61 (3)	O6—K1—O2W—K4^ix	−10.78 (10)
K4^iii—K3—O1—K1^iv	147.36 (6)	K4^i—K1—O2W—K4^ix	121.30 (4)
O4^iii—K3—O1—K2	69.05 (6)	K2^i—K1—O2W—K4^ix	−163.39 (6)
O5^v—K3—O1—K2	−51.96 (11)	O2—K1—O3W—K3^ix	−71.51 (6)
O1W^iv—K3—O1—K2	−110.30 (6)	O1^i—K1—O3W—K3^ix	96.47 (6)
O4W—K3—O1—K2	−15.03 (4)	O2W—K1—O3W—K3^ix	13.03 (5)
O2W^vi—K3—O1—K2	148.18 (5)	O1W—K1—O3W—K3^ix	170.24 (5)
O3W^vi—K3—O1—K2	−173.20 (6)	O5—K1—O3W—K3^ix	−127.64 (6)
K4—K3—O1—K2	−160.44 (6)	O6^i—K1—O3W—K3^ix	23.97 (8)
K2^xii—K3—O1—K2	115.26 (4)	O6—K1—O3W—K3^ix	−139.22 (5)
K4^iii—K3—O1—K2	62.22 (10)	K4^i—K1—O3W—K3^ix	151.30 (3)
O4^iii—K3—O1—K4	−130.50 (5)	K2^i—K1—O3W—K3^ix	63.33 (4)
O5^v—K3—O1—K4	108.48 (9)	O2—K1—O3W—K2	18.73 (4)
O1W^iv—K3—O1—K4	50.14 (4)	O1^i—K1—O3W—K2	−173.29 (4)
O4W—K3—O1—K4	145.41 (4)	O2W—K1—O3W—K2	103.27 (5)
O2W^vi—K3—O1—K4	−51.38 (4)	O1W—K1—O3W—K2	−99.52 (4)
O3W^vi—K3—O1—K4	−12.76 (8)	O5—K1—O3W—K2	−37.41 (8)
K2^xii—K3—O1—K4	−84.30 (4)	O6^i—K1—O3W—K2	114.21 (5)
K4^iii—K3—O1—K4	−137.33 (7)	O6—K1—O3W—K2	−48.98 (4)
O4^ii—K2—O1—P1	−162.96 (8)	K4^i—K1—O3W—K2	−118.47 (5)
O4W—K2—O1—P1	141.98 (7)	K2^i—K1—O3W—K2	153.57 (4)
O2—K2—O1—P1	8.69 (5)	O2—K1—O3W—K4^xiv	−160.11 (7)
O1W^iii—K2—O1—P1	69.48 (7)	O1^i—K1—O3W—K4^xiv	7.87 (8)
O2W^iv—K2—O1—P1	−95.49 (6)	O2W—K1—O3W—K4^xiv	−75.57 (7)
O3W—K2—O1—P1	−31.74 (8)	O1W—K1—O3W—K4^xiv	81.64 (7)
K1^iv—K2—O1—P1	−131.01 (8)	O5—K1—O3W—K4^xiv	143.76 (6)
K4^ii—K2—O1—P1	160.63 (5)	O6^i—K1—O3W—K4^xiv	−64.63 (9)
K3^xi—K2—O1—P1	−128.45 (5)	O6—K1—O3W—K4^xiv	132.18 (6)
K1—K2—O1—P1	−22.77 (5)	K4^i—K1—O3W—K4^xiv	62.70 (9)
O4^ii—K2—O1—K3	70.90 (10)	K2^i—K1—O3W—K4^xiv	−25.27 (5)
O4W—K2—O1—K3	15.83 (4)	O4^ii—K2—O3W—K1	172.99 (5)
O2—K2—O1—K3	−117.45 (6)	O4W—K2—O3W—K1	−147.57 (13)
O1W^iii—K2—O1—K3	−56.67 (6)	O2—K2—O3W—K1	−18.42 (4)
O2W^iv—K2—O1—K3	138.37 (5)	O1W^iii—K2—O3W—K1	−101.43 (5)
O3W—K2—O1—K3	−157.88 (4)	O2W^iv—K2—O3W—K1	81.47 (5)
K1^iv—K2—O1—K3	102.85 (5)	O1—K2—O3W—K1	13.11 (6)
K4^ii—K2—O1—K3	34.49 (5)	K1^iv—K2—O3W—K1	68.61 (5)
K3^xi—K2—O1—K3	105.41 (4)	K4^ii—K2—O3W—K1	−179.60 (2)
K1—K2—O1—K3	−148.92 (4)	K3^xi—K2—O3W—K1	130.02 (4)
O4^ii—K2—O1—K1^iv	−31.95 (11)	O4^ii—K2—O3W—K3^ix	−83.88 (5)
O4W—K2—O1—K1^iv	−87.01 (5)	O4W—K2—O3W—K3^ix	−44.43 (16)
O2—K2—O1—K1^iv	139.70 (6)	O2—K2—O3W—K3^ix	84.72 (5)
O1W^iii—K2—O1—K1^iv	−159.51 (4)	O1W^iii—K2—O3W—K3^ix	1.71 (4)
O2W^iv—K2—O1—K1^iv	35.52 (4)	O2W^iv—K2—O3W—K3^ix	−175.39 (5)
O3W—K2—O1—K1^iv	99.27 (5)	O1—K2—O3W—K3^ix	116.25 (5)
K4^ii—K2—O1—K1^iv	−68.36 (4)	K1^iv—K2—O3W—K3^ix	171.75 (2)
K3^xi—K2—O1—K1^iv	2.56 (4)	K4^ii—K2—O3W—K3^ix	−76.46 (4)
K1—K2—O1—K1^iv	108.23 (3)	K3^xi—K2—O3W—K3^ix	−126.84 (4)
O4^ii—K2—O1—K4	−33.9 (2)	K1—K2—O3W—K3^ix	103.14 (5)
O4W—K2—O1—K4	−88.92 (16)	O4^ii—K2—O3W—K4^xiv	−8.40 (7)
O2—K2—O1—K4	137.80 (17)	O4W—K2—O3W—K4^xiv	31.0 (2)
O1W^iii—K2—O1—K4	−161.42 (14)	O2—K2—O3W—K4^xiv	160.19 (8)
O2W^iv—K2—O1—K4	33.62 (15)	O1W^iii—K2—O3W—K4^xiv	77.18 (8)
O3W—K2—O1—K4	97.37 (15)	O2W^iv—K2—O3W—K4^xiv	−99.92 (9)
K1^iv—K2—O1—K4	−1.90 (13)	O1—K2—O3W—K4^xiv	−168.28 (6)
K4^ii—K2—O1—K4	−70.26 (16)	K1^iv—K2—O3W—K4^xiv	−112.78 (7)
K3^xi—K2—O1—K4	0.66 (17)	K4^ii—K2—O3W—K4^xiv	−0.99 (9)
K1—K2—O1—K4	106.33 (15)	K3^xi—K2—O3W—K4^xiv	−51.37 (8)
O5^iv—K4—O1—P1	114.58 (7)	K1—K2—O3W—K4^xiv	178.61 (11)
O4—K4—O1—P1	39.54 (6)	O4^ii—K2—O4W—K4^ii	−2.30 (4)
O2^vi—K4—O1—P1	−122.40 (7)	O2—K2—O4W—K4^ii	−165.34 (4)
O4W^viii—K4—O1—P1	−31.77 (9)	O1W^iii—K2—O4W—K4^ii	−86.41 (5)
O1W^iv—K4—O1—P1	−174.39 (8)	O2W^iv—K2—O4W—K4^ii	85.17 (6)
O2W^vi—K4—O1—P1	−72.55 (7)	O1—K2—O4W—K4^ii	156.65 (5)
O3W^vii—K4—O1—P1	76.32 (9)	O3W—K2—O4W—K4^ii	−39.80 (16)
K1^iv—K4—O1—P1	129.89 (8)	K1^iv—K2—O4W—K4^ii	108.23 (4)
K3—K4—O1—P1	−123.40 (8)	K3^xi—K2—O4W—K4^ii	39.53 (4)
O5^iv—K4—O1—K3	−122.02 (4)	K1—K2—O4W—K4^ii	−170.71 (4)
O4—K4—O1—K3	162.94 (5)	O4^ii—K2—O4W—K3	−173.99 (4)
O2^vi—K4—O1—K3	1.01 (7)	O2—K2—O4W—K3	22.97 (6)
O4W^viii—K4—O1—K3	91.63 (6)	O1W^iii—K2—O4W—K3	101.90 (6)
O1W^iv—K4—O1—K3	−50.99 (4)	O2W^iv—K2—O4W—K3	−86.52 (6)
O2W^vi—K4—O1—K3	50.85 (4)	O1—K2—O4W—K3	−15.04 (4)
O3W^vii—K4—O1—K3	−160.27 (5)	O3W—K2—O4W—K3	148.51 (12)
K1^iv—K4—O1—K3	−106.71 (5)	K1^iv—K2—O4W—K3	−63.46 (4)
O5^iv—K4—O1—K1^iv	−15.32 (4)	K4^ii—K2—O4W—K3	−171.69 (7)
O4—K4—O1—K1^iv	−90.35 (5)	K3^xi—K2—O4W—K3	−132.16 (4)
O2^vi—K4—O1—K1^iv	107.71 (6)	K1—K2—O4W—K3	17.61 (10)
O4W^viii—K4—O1—K1^iv	−161.67 (5)	O4^iii—K3—O4W—K2	−99.58 (5)
O1W^iv—K4—O1—K1^iv	55.72 (4)	O1—K3—O4W—K2	16.32 (4)
O2W^vi—K4—O1—K1^iv	157.56 (4)	O5^v—K3—O4W—K2	−179.99 (5)
O3W^vii—K4—O1—K1^iv	−53.57 (7)	O1W^iv—K3—O4W—K2	91.16 (5)
K3—K4—O1—K1^iv	106.71 (5)	O2W^vi—K3—O4W—K2	−15.95 (11)
P2—K4—O1—K1^iv	−90.96 (4)	O3W^vi—K3—O4W—K2	175.81 (5)
O5^iv—K4—O1—K2	−13.39 (16)	P2^iii—K3—O4W—K2	−91.39 (5)
O4—K4—O1—K2	−88.43 (16)	K4—K3—O4W—K2	46.69 (5)
O2^vi—K4—O1—K2	109.63 (15)	K2^xii—K3—O4W—K2	−86.62 (6)
O4W^viii—K4—O1—K2	−159.74 (13)	K4^iii—K3—O4W—K2	−141.51 (4)
O1W^iv—K4—O1—K2	57.64 (15)	O4^iii—K3—O4W—K4^ii	111.6 (2)
O2W^vi—K4—O1—K2	159.48 (16)	O1—K3—O4W—K4^ii	−132.5 (2)
O3W^vii—K4—O1—K2	−51.65 (18)	O5^v—K3—O4W—K4^ii	31.2 (2)
K1^iv—K4—O1—K2	1.92 (13)	O1W^iv—K3—O4W—K4^ii	−57.6 (2)
K3—K4—O1—K2	108.63 (16)	O2W^vi—K3—O4W—K4^ii	−164.72 (18)
O1—P1—O2—K1	115.56 (8)	O3W^vi—K3—O4W—K4^ii	27.0 (2)
O3—P1—O2—K1	−117.33 (9)	K4—K3—O4W—K4^ii	−102.1 (2)
P2—P1—O2—K1	−1.12 (8)	K2^xii—K3—O4W—K4^ii	124.6 (2)
O1—P1—O2—K2	14.91 (9)	K4^iii—K3—O4W—K4^ii	69.7 (2)

Symmetry codes: (i) x, −y+1, z+1/2; (ii) x−1, y, z; (iii) x−1/2, y+1/2, z; (iv) x, −y+1, z−1/2; (v) x−1/2, −y+3/2, z−1/2; (vi) x+1/2, −y+3/2, z−1/2; (vii) x+1, −y+1, z−1/2; (viii) x+1, y, z; (ix) x−1/2, −y+3/2, z+1/2; (x) x+1/2, −y+3/2, z+1/2; (xi) x−1/2, y−1/2, z; (xii) x+1/2, y+1/2, z; (xiii) x+1/2, y−1/2, z; (xiv) x−1, −y+1, z+1/2.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1W···O3^xi	0.84	1.88	2.707 (2)	170
O1W—H2W···O6	0.84	1.88	2.717 (2)	177
O2W—H3W···O3^ix	0.84	1.82	2.655 (2)	174
O2W—H4W···O6^i	0.84	1.88	2.707 (2)	171
O3W—H5W···O5^ii	0.84	1.90	2.729 (2)	170
O3W—H6W···O3^xi	0.84	1.92	2.758 (2)	171
O4W—H7W···O6^iii	0.84	1.84	2.678 (2)	177
O4W—H8W···O2^v	0.84	2.03	2.843 (2)	162
O4W—H8W···O3^v	0.84	2.59	3.182 (2)	128

Symmetry codes: (i) x, −y+1, z+1/2; (ii) x−1, y, z; (iii) x−1/2, y+1/2, z; (v) x−1/2, −y+3/2, z−1/2; (ix) x−1/2, −y+3/2, z+1/2; (xi) x−1/2, y−1/2, z.