Tetra­potassium [μ₂-N-carboxylato-D-penicillaminato(3–)-5:6κ²S:S][μ₂-D-penicillaminato(1–)-2:3κ²S:S]tetra­kis[μ₂-D-penicillaminato(2–)]-1:2κ³N,S:S;1:6κ³N,S:S;3:4κ³S:N,S;4:5κ³N,S:S-2,3,5,6-tetra­gold(I)-1,4-dinickel(II) ethanol monosolvate deca­hydrate

In the crystal structure of the title compound, K₄[Au₄Ni₂(C₆H₈NO₄S)(C₅H₉NO₂S)₄(C₅H₁₀NO₂S)]·C₂H₆O·10H₂O, (I), two planar [Ni(C₅H₉NO₂S)₂]²⁻ units are spanned by [Au₂(C₅H₁₀NO₂S)]⁺ and [Au₂(C₆H₈NO₄S)]⁻ linkers through S atoms, forming an S:S-bridged Au^I₄Ni^II₂ hexa­nuclear complex anion. One of six organic ligands in the complex anion is a carbamino derivative of D-penicillamine (3-mercaptovaline) and the others are deprotonated D-penicillamines. Each complex anion binds to nine K⁺ ions through six carboxyl­ate and one carbamino groups to construct a three-dimensional structure.

S1. Comment

A carbamino derivative of amino acid, which is formed by the reaction of an amino group with CO₂, is an important species in biological systems because the carbamination of an N-terminal valine residue of hemoglobin is related to its CO₂ derivery [delivery?] and oxygen affinity (Jensen, 2004). While the carbamino deoxyhemoglobin has been crystallographically determined by Fantl et al. (1987), the structural determination of carbaminated amino acids has been done only for an achiral carbaminoglycinate salt (Kovbasyuk et al., 1997).

In the course of studying the reactivity of the 3-mercapto derivative of valine (D-penicillamine; D-H₂pen = C₅H₁₁NO₂S) bound to a gold(I) centre towards various metal ions (Toyota et al., 2005; Taguchi et al., 2007), we found that red crystals containing Au^I and Ni^II atoms in a 2:1 ratio are formed when a solution containing [Au(D-pen)₂]^3– and Ni²⁺ is allowed to stand in a refrigerator for 2 months. Herein we report the crystal structure of (I) containing a D-carbaminopenicillaminate (D-cp = C₆H₈NO₄S) that bridges two Au^I atoms through a thiolato group. To our knowledge, this is the first example of a structurally characterized chiral carbamino amino acid bound to metal centres.

A displacement ellipsoid plot with the numbering scheme of (I) is given in Fig. 1. The hexanuclear complex anion in (I) contains two {Ni(D-pen)₂}^2– units, in which each Ni^II atom is coordinated by two bidentate-N,S D-pen ligands. The two Ni^II units have a slightly distorted square-planar geometry, with the dihedral angles between the Ni1/N1/S1 and Ni1/N2/S2 planes and the Ni2/N3/S3 and Ni2/N4/S4 planes being 10.3 (2)° and 6.1 (2)°, respectively. All D-pen N,S-chelate rings in the Ni^II units adopt a δ conformation as found in bis(D-penicillaminato)nickelate(II) (Baidya et al., 1991). In (I), the two Ni^II units are spanned by two digold(I) linkers, {Au₂(D-Hpen)}⁺ and {Au₂(D-cp)}^-, forming an S-bridged hexanuclear structure in [{Au₂(D-cp)}{Au₂(D-Hpen)}{Ni(D-pen)₂}₂]^4– with a 12-membered Au^I₄Ni^II₂S₆ metallo-ring. One of the digold(I) linkers contains a D-Hpen ligand that bridges two Au^I atoms through S atoms, while its amino group is in a protonated form (NH₃⁺) and is not involved in the coordination. The other digold(I) linker possesses D-cp, in place of D-Hpen, as a bridging ligand, which is considered to be produced by the reaction of D-pen with CO₃^2–. A carbamino N atom of the D-cp ligand is in a trigonal planar geometry and the C—N bond [C31—N6 = 1.383 (8) Å] is obviously shorter than normal C—N single bonds. In addition, the carbamino and N-carboxylate groups lie roughly on the same plane; the dihedral angle between the N6/C27/H6 and C31/O13/O14 planes is 9.0 (8)°. This is indicative of the spreading of π-conjugation over the carbamino and the N-carboxylate groups. A similar structural feature has been observed for previously reported carbamino compounds (e.g. Garbauskas et al., 1983; Schmitt et al., 2002; Shi et al., 2006). It is noted that the carboxylate groups of D-Hpen and the N-carboxylate of D-cp form intramolecular hydrogen bonds with amine groups bound to Ni^II atoms [N1···O10 = 2.825 (7), N2···O9 = 2.960 (6), N3···O14 = 2.867 (6), N4···O14 = 2.934 (6) Å] (Fig. 2). Furthermore, there is an intramolecular aurophilic interaction (Schmidbaur & Schier, 2008) between Au^I atoms with distances of Au1···Au2 = 3.0635 (5), Au1···Au4 = 3.1730 (6) and Au3···Au4 = 3.0542 (5) Å (Fig. 2). These attractive interactions appear to sustain this unique hexanuclear structure in (I).

In (I), each complex anion is connected [to?] with four neighbouring complex anions through N—H···O hydrogen bonds between amine or ammonium groups and carboxylate groups [N1···O6ⁱ = 3.013 (6), N4···O4ⁱⁱⁱ = 3.004 (6), N5···O2^v = 2.816 (6) Å; symmetry codes and geometric parameters are given in Table 1], forming a two-dimensional layer structure in the ab plane (Fig. 3). In addition, the layers are parallel connected [in a parallel manner?] with each other through K—O_carboxylate coordination bonds [2.629 (4) – 3.192 (5) Å] to give a three-dimensional network structure (Fig. 4). Besides carboxylate groups, some water and ethanol molecules coordinate to K⁺ ions [2.732 (6) – 2.918 (7) Å]. All of the water and ethanol molecules participate in the formation of O—H···O hydrogen bonds with carboxylate groups, water molecules, and/or ethanol molecules in the O—O distance range of 2.662 (7)–3.187 (7) Å (Table 1).

Related literature

For related literature, see: Baidya et al. (1991); Fantl et al. (1987); Garbauskas et al. (1983); Jensen (2004); Konno et al. (2009); Kovbasyuk et al. (1997); LeBlanc, Britten, Wang, Howard-Lock & Lock (1997); Schmidbaur & Schier (2008); Schmitt et al. (2002); Shi et al. (2006); Taguchi et al. (2007); Toyota et al. (2005).

S2. Experimental

A solution containing 0.013 g (0.04 mmol) of Ni(NO₃)₂.6H₂O in 6 cm³ of ethanol was layered onto a colourless solution containing 0.050 g (0.09 mmol) of NH₄[Au(D-Hpen)₂].3.5H₂O (LeBlanc et al., 1997; Konno et al., 2009) and 0.024 g (0.18 mmol) of K₂CO₃ in 1 cm³ of water in a test tube (1.5 cm × 10 cm), which was left in a refrigerator for 2 months. The resulting red, plate crystals of (I) were collected by filtration. IR (KBr, cm^–1): 1593 (s, υ_as of OCO^-).

S3. Refinement

H atoms bound to C and N atoms were placed at calculated positions [C—H = 0.98 (CH₃), 0.99 (CH₂) and 1.00 (CH), and N—H = 0.91 (NH₃⁺), 0.92 (NH₂) and 0.88 (NH)] and refined as riding with U_iso(H) = 1.2U_eq(C, N) for CH₂, CH, NH₂ and NH and 1.5U_eq(C, N) for CH₃ and NH₃⁺. Each of two ethanol molecules shares the same site with a water molecule, and these disordered molecules were refined with occupancies of 0.5. H atoms of water molecules and H atoms bound to O atoms of ethanol molecules were placed so as to form reasonable hydrogen bonding, except for two H atoms of disordered water molecules that were not included in the model. All H atoms bound to O atoms were refined with restrained geometric and displacement parameters [O—H = 0.85 (5) Å, H···H = 1.38 (5) Å and U_iso(H) = 1.2U_eq(O)]. In addition, 14 H atoms (H15A, H15B, H16B, H17A, H18A, H18B, H19A, H21A, H21B, H22B, H23A, H23B, H24, and H25) were refined with the restrained parameters so as to form reasonable hydrogen bonding.

Computing details

Data collection: PROCESS-AUTO (Rigaku, 1998); cell refinement: PROCESS-AUTO (Rigaku, 1998); data reduction: CrystalStructure (Rigaku/MSC, 2004); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: Mercury (Macrae et al., 2006); software used to prepare material for publication: publCIF (Westrip, 2010).

Figures

	Fig. 1. A perspective view of the title compound with the atom-numbering scheme. Displacement ellipsoids are at the 70% probability level. H atoms are omitted for clarity.
	Fig. 2. A view of the intramolecular hydrogen bonds and aurophilic interactions. Dotted and dashed lines indicate N—H···O hydrogen bonds and Au···Au interactions, respectively. [Symmetry codes: (i) -x, y-1/2, -z; (ii) -x, y+1/2, -z+1; (iii) -x, y+1/2, -z; (iv) x, y, z-1; (v) x+1, y, z.]
	Fig. 3. A view of the two-dimensional layer structure of complex anions. Dashed lines indicate N—H···O hydrogen bonds. K^+ ions, solvent molecules and H atoms are omitted for clarity.
	Fig. 4. A view of the three-dimensional network structure of complex anions connected by K^+ ions.

Tetrapotassium [µ₂-N-carboxylato-D-penicillaminato(3-)- 5:6κ²S:S][µ₂-D-penicillaminato(1-)- 2,3κ²S:S]tetrakis[µ₂-D-penicillaminato(2-)]- 1:2κ³N,S:S; 1:6κ³N,S:S; 3:4κ³S:N,S; 4:5κ³N,S:S-2,3,5,6-tetragold(I)-1,4-dinickel(II) ethanol monosolvate decahydrate

Crystal data

K4[Au4Ni2(C6H8NO4S)(C5H9NO2S)4(C5H10NO2S)]·C2H6O·10H2O	F(000) = 2128
Mr = 2214.06	Dx = 2.236 Mg m^−3
Monoclinic, P21	Mo Kα radiation, λ = 0.71075 Å
Hall symbol: P 2yb	Cell parameters from 34450 reflections
a = 9.9638 (18) Å	θ = 3.0–30.1°
b = 22.644 (4) Å	µ = 9.97 mm^−1
c = 14.723 (3) Å	T = 200 K
β = 97.998 (7)°	Needle, red
V = 3289.5 (10) Å^3	0.15 × 0.15 × 0.04 mm
Z = 2

Data collection

Rigaku RAXIS-RAPID diffractometer	17713 independent reflections
Radiation source: fine-focus sealed tube	16029 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.044
Detector resolution: 10.00 pixels mm^-1	θmax = 30.0°, θmin = 3.0°
ω scans	h = −14→14
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	k = −31→29
Tmin = 0.316, Tmax = 0.691	l = −20→20
38154 measured reflections

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.030	H atoms treated by a mixture of independent and constrained refinement
wR(F^2) = 0.064	w = 1/[σ^2(Fo^2) + (0.0056P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 1.04	(Δ/σ)max = 0.001
17713 reflections	Δρmax = 1.14 e Å^−3
804 parameters	Δρmin = −0.97 e Å^−3
49 restraints	Absolute structure: Flack (1983). 8079 Friedel Pairs
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: −0.005 (3)

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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)
Au1	0.036567 (19)	0.253734 (9)	−0.081657 (17)	0.01710 (5)
Au2	0.20358 (2)	0.157111 (10)	0.027257 (17)	0.02000 (5)
Au3	0.19825 (2)	0.370953 (10)	−0.017873 (17)	0.02010 (5)
Au4	0.15529 (2)	0.278386 (9)	0.126191 (17)	0.01696 (5)
Ni1	−0.08065 (6)	0.14333 (3)	−0.14709 (6)	0.01478 (15)
Ni2	0.10443 (7)	0.40292 (3)	0.21117 (6)	0.01450 (15)
K1	−0.27872 (12)	0.27266 (6)	0.54363 (11)	0.0257 (3)
K2	−0.33196 (13)	0.42437 (6)	0.42523 (12)	0.0259 (3)
K3	−0.01420 (15)	0.13962 (6)	0.51312 (13)	0.0361 (4)
K4	0.35920 (12)	0.14745 (6)	−0.36847 (12)	0.0290 (4)
S1	−0.13567 (13)	0.19568 (6)	−0.03508 (11)	0.0173 (3)
S2	0.06493 (13)	0.09054 (6)	−0.05895 (11)	0.0183 (3)
S3	0.16598 (14)	0.44096 (6)	0.08863 (11)	0.0179 (3)
S4	−0.03057 (13)	0.33741 (6)	0.13872 (11)	0.0155 (3)
S5	0.21126 (14)	0.30517 (6)	−0.13551 (12)	0.0195 (3)
S6	0.34522 (14)	0.22088 (6)	0.11829 (12)	0.0196 (3)
O1	−0.4449 (4)	0.22462 (18)	−0.3265 (3)	0.0272 (11)
O2	−0.4855 (4)	0.2939 (2)	−0.2276 (4)	0.0383 (13)
O3	0.1587 (4)	0.07034 (17)	−0.3673 (3)	0.0193 (9)
O4	0.1549 (4)	−0.02365 (17)	−0.3199 (3)	0.0255 (10)
O5	0.4781 (4)	0.5024 (2)	0.3511 (4)	0.0359 (13)
O6	0.4261 (4)	0.58590 (18)	0.2775 (4)	0.0403 (15)
O7	−0.1183 (4)	0.34293 (18)	0.4495 (3)	0.0248 (10)
O8	−0.0449 (4)	0.25043 (19)	0.4410 (3)	0.0280 (11)
O9	0.1387 (4)	0.20511 (17)	−0.3156 (4)	0.0264 (11)
O10	−0.0610 (4)	0.2510 (2)	−0.3291 (3)	0.0302 (11)
O11	0.4599 (4)	0.17817 (19)	0.4469 (4)	0.0301 (11)
O12	0.6534 (4)	0.1747 (2)	0.3882 (3)	0.0319 (11)
O13	0.5414 (4)	0.31679 (18)	0.4114 (3)	0.0261 (11)
O14	0.3345 (4)	0.35605 (18)	0.3859 (3)	0.0268 (11)
N1	−0.2233 (4)	0.1831 (2)	−0.2258 (4)	0.0187 (11)
H1A	−0.1896	0.1937	−0.2785	0.022*
H1B	−0.2915	0.1561	−0.2422	0.022*
N2	−0.0150 (4)	0.1054 (2)	−0.2506 (4)	0.0179 (11)
H2A	−0.0882	0.0974	−0.2941	0.022*
H2B	0.0392	0.1319	−0.2760	0.022*
N3	0.2318 (4)	0.45634 (19)	0.2793 (4)	0.0173 (11)
H3A	0.1876	0.4754	0.3217	0.021*
H3B	0.2994	0.4340	0.3115	0.021*
N4	0.0462 (4)	0.3773 (2)	0.3223 (4)	0.0186 (11)
H4A	0.1181	0.3803	0.3686	0.022*
H4B	−0.0202	0.4027	0.3362	0.022*
N5	0.2732 (4)	0.3017 (2)	−0.3517 (4)	0.0183 (10)
H5A	0.2993	0.3352	−0.3786	0.027*
H5B	0.2706	0.2711	−0.3921	0.027*
H5C	0.3334	0.2934	−0.3010	0.027*
N6	0.3743 (4)	0.2680 (2)	0.3245 (4)	0.0221 (12)
H6	0.2867	0.2644	0.3068	0.027*
C1	−0.2998 (5)	0.2279 (3)	−0.0895 (5)	0.0186 (13)
C2	−0.2859 (5)	0.2368 (2)	−0.1901 (4)	0.0152 (12)
H2	−0.2211	0.2702	−0.1934	0.018*
C3	−0.4172 (5)	0.2525 (3)	−0.2536 (5)	0.0226 (14)
C4	−0.4122 (5)	0.1845 (3)	−0.0765 (6)	0.0277 (16)
H41	−0.5005	0.2029	−0.0964	0.042*
H42	−0.4056	0.1736	−0.0116	0.042*
H43	−0.4030	0.1490	−0.1132	0.042*
C5	−0.3206 (6)	0.2850 (3)	−0.0422 (5)	0.0261 (15)
H51	−0.2554	0.3143	−0.0583	0.039*
H52	−0.3069	0.2789	0.0243	0.039*
H53	−0.4130	0.2993	−0.0617	0.039*
C6	0.1673 (5)	0.0581 (2)	−0.1426 (4)	0.0187 (12)
C7	0.0633 (5)	0.0496 (2)	−0.2304 (4)	0.0150 (11)
H7	−0.0018	0.0181	−0.2177	0.018*
C8	0.1314 (5)	0.0298 (3)	−0.3141 (4)	0.0170 (12)
C9	0.2821 (5)	0.0991 (3)	−0.1609 (5)	0.0244 (14)
H91	0.3437	0.1055	−0.1037	0.037*
H92	0.2443	0.1371	−0.1840	0.037*
H93	0.3321	0.0811	−0.2066	0.037*
C10	0.2210 (6)	−0.0010 (3)	−0.1050 (5)	0.0291 (16)
H101	0.2757	−0.0191	−0.1479	0.044*
H102	0.1448	−0.0270	−0.0972	0.044*
H103	0.2772	0.0049	−0.0455	0.044*
C11	0.3328 (5)	0.4727 (2)	0.1391 (4)	0.0176 (12)
C12	0.2958 (5)	0.5011 (2)	0.2289 (4)	0.0171 (12)
H12	0.2251	0.5317	0.2097	0.020*
C13	0.4122 (6)	0.5328 (2)	0.2899 (5)	0.0227 (14)
C14	0.4391 (6)	0.4235 (3)	0.1616 (5)	0.0267 (16)
H141	0.4568	0.4045	0.1047	0.040*
H142	0.4047	0.3941	0.2015	0.040*
H143	0.5233	0.4406	0.1931	0.040*
C15	0.3741 (6)	0.5182 (3)	0.0756 (6)	0.0337 (18)
H151	0.4479	0.5421	0.1078	0.051*
H152	0.2966	0.5438	0.0545	0.051*
H153	0.4050	0.4988	0.0228	0.051*
C16	−0.1101 (5)	0.3065 (2)	0.2356 (5)	0.0194 (13)
C17	−0.0071 (5)	0.3163 (2)	0.3215 (4)	0.0164 (12)
H17	0.0709	0.2892	0.3168	0.020*
C18	−0.0599 (5)	0.3019 (3)	0.4135 (4)	0.0169 (12)
C19	−0.2406 (5)	0.3413 (3)	0.2372 (5)	0.0241 (14)
H191	−0.2965	0.3386	0.1771	0.036*
H192	−0.2185	0.3828	0.2512	0.036*
H193	−0.2905	0.3250	0.2843	0.036*
C20	−0.1394 (6)	0.2410 (2)	0.2192 (5)	0.0246 (14)
H201	−0.1745	0.2242	0.2726	0.037*
H202	−0.0557	0.2206	0.2100	0.037*
H203	−0.2069	0.2362	0.1646	0.037*
C21	0.1400 (5)	0.3490 (2)	−0.2381 (5)	0.0198 (13)
C22	0.1354 (5)	0.3106 (2)	−0.3246 (4)	0.0153 (11)
H22	0.0818	0.3332	−0.3755	0.018*
C23	0.0657 (5)	0.2503 (3)	−0.3213 (5)	0.0218 (13)
C24	0.2353 (6)	0.4017 (3)	−0.2434 (5)	0.0280 (15)
H241	0.2049	0.4246	−0.2989	0.042*
H242	0.3276	0.3873	−0.2454	0.042*
H243	0.2343	0.4268	−0.1893	0.042*
C25	−0.0026 (6)	0.3706 (3)	−0.2302 (5)	0.0294 (15)
H251	−0.0379	0.3929	−0.2854	0.044*
H252	−0.0002	0.3962	−0.1763	0.044*
H253	−0.0615	0.3366	−0.2238	0.044*
C26	0.3913 (5)	0.1791 (2)	0.2281 (5)	0.0192 (13)
C27	0.4653 (5)	0.2236 (2)	0.2979 (4)	0.0177 (12)
H27	0.5388	0.2435	0.2694	0.021*
C28	0.5307 (6)	0.1893 (3)	0.3853 (5)	0.0239 (14)
C29	0.4907 (6)	0.1324 (3)	0.2038 (5)	0.0317 (17)
H291	0.5199	0.1078	0.2577	0.048*
H292	0.5697	0.1518	0.1841	0.048*
H293	0.4462	0.1075	0.1539	0.048*
C30	0.2674 (6)	0.1514 (3)	0.2616 (5)	0.0263 (14)
H301	0.2274	0.1220	0.2171	0.039*
H302	0.2004	0.1823	0.2683	0.039*
H303	0.2947	0.1323	0.3210	0.039*
C31	0.4218 (6)	0.3162 (2)	0.3772 (5)	0.0241 (14)
O15	0.2234 (4)	0.2158 (2)	0.4939 (4)	0.0303 (11)
H15A	0.160 (4)	0.237 (3)	0.470 (5)	0.036*
H15B	0.274 (4)	0.201 (3)	0.457 (4)	0.036*
O16	−0.3389 (5)	0.3867 (2)	0.6008 (4)	0.0437 (14)
H16A	−0.426 (4)	0.384 (3)	0.589 (5)	0.052*
H16B	−0.320 (7)	0.404 (3)	0.656 (3)	0.052*
O17	−0.2663 (4)	0.1395 (2)	0.5663 (4)	0.0371 (13)
H17A	−0.332 (6)	0.130 (3)	0.612 (4)	0.045*
H17B	−0.309 (6)	0.161 (3)	0.528 (4)	0.045*
O18	−0.1341 (5)	0.0193 (2)	0.5689 (4)	0.0419 (14)
H18A	−0.099 (6)	−0.012 (2)	0.551 (3)	0.050*
H18B	−0.215 (5)	0.017 (3)	0.529 (4)	0.050*
O19	−0.1714 (6)	0.5307 (3)	0.5386 (5)	0.0511 (16)
H19A	−0.178 (8)	0.558 (3)	0.492 (3)	0.061*
H19B	−0.263 (5)	0.538 (4)	0.546 (6)	0.061*
O20	0.3770 (5)	0.3948 (2)	0.5582 (4)	0.0324 (11)
H20A	0.358 (8)	0.389 (3)	0.505 (3)	0.039*
H20B	0.378 (7)	0.4308 (19)	0.575 (5)	0.039*
O21	0.4477 (5)	0.0584 (2)	0.4806 (4)	0.0404 (13)
H21A	0.500 (6)	0.043 (3)	0.536 (3)	0.049*
H21B	0.471 (7)	0.0929 (17)	0.473 (5)	0.049*
O22	0.0158 (5)	0.4403 (2)	0.5401 (4)	0.0472 (15)
H22A	−0.015 (7)	0.4070 (19)	0.532 (7)	0.057*
H22B	−0.034 (6)	0.468 (2)	0.551 (5)	0.057*
O23	0.3394 (7)	0.5114 (3)	0.5963 (6)	0.071 (2)
H23A	0.309 (7)	0.535 (3)	0.640 (5)	0.085*
H23B	0.411 (6)	0.528 (3)	0.587 (5)	0.085*
O24	−0.1603 (6)	0.0921 (2)	0.3433 (5)	0.0582 (18)
H24	−0.194 (6)	0.121 (2)	0.367 (7)	0.070*
C32	−0.0777 (11)	0.0784 (5)	0.2737 (10)	0.023 (3)	0.50
H321	−0.0302	0.0405	0.2894	0.028*	0.50
H322	−0.0080	0.1095	0.2732	0.028*	0.50
C33	−0.1537 (13)	0.0736 (5)	0.1831 (11)	0.032 (4)	0.50
H331	−0.2232	0.0430	0.1831	0.048*	0.50
H332	−0.0924	0.0632	0.1391	0.048*	0.50
H333	−0.1973	0.1116	0.1658	0.048*	0.50
O25	−0.3299 (7)	0.3969 (3)	0.7911 (5)	0.074 (2)
H25	−0.379 (9)	0.366 (3)	0.807 (6)	0.088*
C34	−0.3417 (14)	0.4432 (6)	0.8523 (12)	0.037 (3)*	0.50
H341	−0.4367	0.4571	0.8455	0.045*	0.50
H342	−0.3164	0.4291	0.9161	0.045*	0.50
C35	−0.2616 (13)	0.4869 (6)	0.8356 (12)	0.036 (3)*	0.50
H351	−0.1920	0.4929	0.8888	0.054*	0.50
H352	−0.3151	0.5231	0.8239	0.054*	0.50
H353	−0.2180	0.4774	0.7817	0.054*	0.50

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Au1	0.01639 (9)	0.01930 (10)	0.01535 (13)	−0.00107 (8)	0.00128 (9)	−0.00084 (9)
Au2	0.01962 (10)	0.02284 (11)	0.01628 (13)	0.00276 (8)	−0.00192 (9)	−0.00434 (10)
Au3	0.02377 (11)	0.02188 (11)	0.01550 (13)	−0.00496 (9)	0.00572 (9)	−0.00290 (10)
Au4	0.01765 (9)	0.01778 (10)	0.01554 (13)	0.00093 (7)	0.00264 (9)	−0.00101 (9)
Ni1	0.0127 (3)	0.0176 (4)	0.0139 (4)	0.0003 (2)	0.0015 (3)	−0.0021 (3)
Ni2	0.0147 (3)	0.0143 (3)	0.0145 (4)	−0.0017 (3)	0.0020 (3)	−0.0007 (3)
K1	0.0215 (6)	0.0323 (7)	0.0233 (8)	0.0025 (5)	0.0028 (6)	0.0057 (6)
K2	0.0237 (6)	0.0222 (6)	0.0320 (9)	0.0001 (5)	0.0043 (6)	0.0033 (6)
K3	0.0329 (7)	0.0316 (8)	0.0437 (11)	0.0022 (6)	0.0048 (7)	0.0122 (7)
K4	0.0184 (6)	0.0251 (7)	0.0417 (10)	−0.0012 (5)	−0.0024 (6)	0.0034 (6)
S1	0.0167 (6)	0.0211 (7)	0.0141 (8)	0.0017 (5)	0.0027 (6)	0.0003 (6)
S2	0.0171 (6)	0.0202 (7)	0.0172 (8)	0.0015 (5)	0.0013 (6)	−0.0033 (6)
S3	0.0206 (6)	0.0180 (7)	0.0157 (8)	−0.0034 (5)	0.0043 (6)	−0.0006 (6)
S4	0.0165 (6)	0.0168 (6)	0.0133 (8)	−0.0008 (5)	0.0024 (6)	−0.0006 (6)
S5	0.0202 (7)	0.0210 (7)	0.0179 (9)	−0.0014 (5)	0.0040 (6)	−0.0006 (6)
S6	0.0180 (6)	0.0232 (7)	0.0175 (8)	0.0015 (5)	0.0023 (6)	−0.0034 (6)
O1	0.027 (2)	0.022 (2)	0.030 (3)	−0.0033 (17)	−0.006 (2)	0.000 (2)
O2	0.024 (2)	0.057 (3)	0.030 (3)	0.019 (2)	−0.008 (2)	−0.004 (3)
O3	0.023 (2)	0.021 (2)	0.015 (2)	−0.0017 (15)	0.0052 (18)	−0.0008 (17)
O4	0.029 (2)	0.017 (2)	0.032 (3)	0.0057 (16)	0.011 (2)	−0.006 (2)
O5	0.033 (2)	0.028 (2)	0.043 (4)	−0.0024 (19)	−0.008 (2)	0.004 (2)
O6	0.030 (2)	0.016 (2)	0.068 (4)	−0.0077 (18)	−0.019 (3)	0.003 (2)
O7	0.026 (2)	0.028 (2)	0.022 (3)	0.0030 (17)	0.0120 (19)	0.000 (2)
O8	0.031 (2)	0.027 (2)	0.026 (3)	0.0056 (18)	0.006 (2)	0.013 (2)
O9	0.029 (2)	0.017 (2)	0.036 (3)	0.0019 (16)	0.015 (2)	0.003 (2)
O10	0.0157 (18)	0.046 (3)	0.027 (3)	−0.0108 (19)	−0.0018 (19)	0.010 (2)
O11	0.032 (2)	0.032 (2)	0.027 (3)	0.0059 (18)	0.004 (2)	0.006 (2)
O12	0.026 (2)	0.050 (3)	0.020 (3)	0.017 (2)	0.003 (2)	0.006 (2)
O13	0.019 (2)	0.025 (2)	0.031 (3)	−0.0026 (16)	−0.007 (2)	−0.007 (2)
O14	0.028 (2)	0.025 (2)	0.024 (3)	0.0075 (17)	−0.009 (2)	−0.0058 (19)
N1	0.018 (2)	0.025 (2)	0.012 (3)	−0.0007 (19)	−0.003 (2)	−0.009 (2)
N2	0.011 (2)	0.023 (2)	0.018 (3)	−0.0015 (17)	−0.001 (2)	−0.002 (2)
N3	0.015 (2)	0.019 (2)	0.017 (3)	0.0019 (17)	−0.003 (2)	−0.003 (2)
N4	0.017 (2)	0.021 (2)	0.018 (3)	−0.0056 (18)	0.001 (2)	0.000 (2)
N5	0.018 (2)	0.024 (2)	0.013 (3)	0.0012 (18)	0.002 (2)	0.001 (2)
N6	0.015 (2)	0.022 (2)	0.027 (3)	0.0044 (18)	−0.005 (2)	−0.011 (2)
C1	0.011 (2)	0.025 (3)	0.020 (4)	0.001 (2)	0.001 (2)	−0.001 (3)
C2	0.015 (2)	0.019 (3)	0.011 (3)	0.0003 (19)	0.001 (2)	0.002 (2)
C3	0.013 (2)	0.023 (3)	0.031 (4)	−0.007 (2)	0.001 (3)	0.002 (3)
C4	0.015 (3)	0.026 (3)	0.043 (5)	−0.003 (2)	0.008 (3)	−0.003 (3)
C5	0.032 (3)	0.026 (3)	0.018 (4)	0.011 (3)	−0.005 (3)	−0.005 (3)
C6	0.019 (3)	0.022 (3)	0.015 (3)	0.000 (2)	0.002 (2)	−0.005 (2)
C7	0.018 (3)	0.019 (3)	0.009 (3)	0.001 (2)	0.006 (2)	−0.001 (2)
C8	0.014 (2)	0.026 (3)	0.011 (3)	−0.001 (2)	0.004 (2)	−0.002 (2)
C9	0.018 (3)	0.036 (4)	0.019 (4)	−0.001 (2)	0.000 (3)	0.000 (3)
C10	0.028 (3)	0.028 (3)	0.030 (4)	0.008 (3)	0.000 (3)	0.003 (3)
C11	0.016 (2)	0.021 (3)	0.016 (3)	−0.004 (2)	0.002 (2)	0.002 (2)
C12	0.020 (3)	0.012 (2)	0.019 (3)	−0.002 (2)	0.002 (2)	0.004 (2)
C13	0.020 (3)	0.016 (3)	0.033 (4)	−0.001 (2)	0.005 (3)	−0.004 (3)
C14	0.019 (3)	0.021 (3)	0.041 (5)	0.003 (2)	0.006 (3)	−0.007 (3)
C15	0.023 (3)	0.039 (4)	0.041 (5)	−0.008 (3)	0.008 (3)	0.006 (3)
C16	0.017 (3)	0.017 (3)	0.025 (4)	−0.004 (2)	0.006 (3)	0.001 (3)
C17	0.016 (2)	0.014 (3)	0.021 (3)	0.0002 (19)	0.008 (2)	0.005 (2)
C18	0.013 (2)	0.024 (3)	0.014 (3)	−0.003 (2)	0.000 (2)	0.001 (2)
C19	0.020 (3)	0.028 (3)	0.025 (4)	0.000 (2)	0.003 (3)	−0.002 (3)
C20	0.029 (3)	0.014 (3)	0.031 (4)	−0.008 (2)	0.006 (3)	−0.002 (3)
C21	0.021 (3)	0.013 (2)	0.026 (4)	0.000 (2)	0.007 (3)	−0.001 (2)
C22	0.017 (3)	0.021 (3)	0.010 (3)	0.000 (2)	0.009 (2)	0.001 (2)
C23	0.021 (3)	0.028 (3)	0.017 (3)	−0.009 (2)	0.006 (3)	0.003 (3)
C24	0.036 (3)	0.028 (3)	0.021 (4)	−0.004 (3)	0.008 (3)	−0.002 (3)
C25	0.025 (3)	0.038 (4)	0.025 (4)	0.014 (3)	0.004 (3)	0.007 (3)
C26	0.019 (3)	0.019 (3)	0.019 (4)	0.004 (2)	−0.001 (3)	−0.002 (2)
C27	0.020 (3)	0.020 (3)	0.013 (3)	0.003 (2)	0.002 (2)	0.000 (2)
C28	0.021 (3)	0.028 (3)	0.022 (4)	0.006 (2)	−0.002 (3)	−0.002 (3)
C29	0.029 (3)	0.029 (3)	0.033 (5)	0.008 (3)	−0.008 (3)	−0.007 (3)
C30	0.035 (3)	0.021 (3)	0.023 (4)	−0.007 (2)	0.003 (3)	−0.001 (3)
C31	0.030 (3)	0.015 (3)	0.027 (4)	0.000 (2)	0.004 (3)	0.004 (3)
O15	0.028 (2)	0.044 (3)	0.020 (3)	0.0066 (19)	0.005 (2)	0.005 (2)
O16	0.046 (3)	0.053 (3)	0.029 (3)	0.003 (3)	−0.004 (3)	−0.005 (3)
O17	0.029 (2)	0.050 (3)	0.031 (3)	0.002 (2)	0.001 (2)	0.008 (3)
O18	0.037 (3)	0.046 (3)	0.041 (4)	0.002 (2)	0.001 (3)	0.013 (3)
O19	0.046 (3)	0.071 (4)	0.039 (4)	0.017 (3)	0.020 (3)	0.014 (3)
O20	0.051 (3)	0.027 (2)	0.023 (3)	0.002 (2)	0.016 (3)	0.001 (2)
O21	0.040 (3)	0.044 (3)	0.036 (4)	−0.006 (2)	0.001 (3)	0.004 (3)
O22	0.053 (3)	0.041 (3)	0.043 (4)	0.007 (3)	−0.008 (3)	−0.005 (3)
O23	0.079 (4)	0.044 (4)	0.101 (7)	−0.020 (3)	0.049 (5)	−0.025 (4)
O24	0.061 (4)	0.035 (3)	0.078 (6)	0.007 (3)	0.010 (4)	0.000 (3)
C32	0.015 (5)	0.025 (6)	0.034 (9)	0.001 (4)	0.017 (5)	0.010 (6)
C33	0.037 (7)	0.014 (6)	0.047 (11)	0.010 (5)	0.011 (7)	0.008 (6)
O25	0.088 (5)	0.088 (5)	0.047 (5)	−0.015 (4)	0.019 (4)	0.001 (4)

Geometric parameters (Å, º)

Au1—S5	2.3235 (15)	N6—C31	1.383 (8)
Au1—S1	2.3390 (15)	N6—C27	1.445 (7)
Au1—Ni1	2.8686 (8)	N6—H6	0.8800
Au1—Au2	3.0635 (5)	C1—C5	1.497 (8)
Au1—Au4	3.1730 (6)	C1—C2	1.520 (9)
Au1—Au3	3.1783 (5)	C1—C4	1.523 (8)
Au2—S2	2.3030 (14)	C2—C3	1.540 (7)
Au2—S6	2.3122 (15)	C2—H2	1.0000
Au2—Au4	3.1764 (5)	C4—H41	0.9800
Au3—S3	2.2837 (16)	C4—H42	0.9800
Au3—S5	2.3017 (17)	C4—H43	0.9800
Au3—Au4	3.0542 (5)	C5—H51	0.9800
Au4—S4	2.3118 (14)	C5—H52	0.9800
Au4—S6	2.3134 (14)	C5—H53	0.9800
Au4—Ni2	3.1545 (9)	C6—C10	1.518 (8)
Ni1—N1	1.927 (5)	C6—C9	1.525 (8)
Ni1—N2	1.940 (5)	C6—C7	1.553 (8)
Ni1—S1	2.1627 (18)	C7—C8	1.553 (8)
Ni1—S2	2.1664 (16)	C7—H7	1.0000
Ni2—N4	1.901 (5)	C9—H91	0.9800
Ni2—N3	1.930 (4)	C9—H92	0.9800
Ni2—S3	2.1634 (18)	C9—H93	0.9800
Ni2—S4	2.1792 (15)	C10—H101	0.9800
K1—O13^i	2.651 (4)	C10—H102	0.9800
K1—O10^ii	2.706 (4)	C10—H103	0.9800
K1—O7	2.761 (5)	C11—C15	1.487 (9)
K1—O16	2.807 (6)	C11—C14	1.541 (8)
K1—O1^ii	2.909 (5)	C11—C12	1.560 (9)
K1—O8	2.990 (5)	C12—C13	1.542 (8)
K1—O17	3.035 (5)	C12—H12	1.0000
K1—O12^i	3.192 (5)	C14—H141	0.9800
K1—K2	3.855 (2)	C14—H142	0.9800
K1—K3	4.069 (2)	C14—H143	0.9800
K1—K4^iii	4.902 (2)	C15—H151	0.9800
K2—O5^i	2.705 (5)	C15—H152	0.9800
K2—O16	2.732 (6)	C15—H153	0.9800
K2—O13^i	2.738 (4)	C16—C20	1.524 (7)
K2—O4^iv	2.768 (5)	C16—C19	1.524 (8)
K2—O7	2.802 (4)	C16—C17	1.530 (8)
K2—O19	3.224 (7)	C17—C18	1.555 (9)
K3—O8	2.725 (4)	C17—H17	1.0000
K3—O17	2.733 (5)	C19—H191	0.9800
K3—O3^ii	2.772 (4)	C19—H192	0.9800
K3—O24	2.918 (7)	C19—H193	0.9800
K3—O15	2.975 (5)	C20—H201	0.9800
K3—O18	3.131 (5)	C20—H202	0.9800
K3—O9^ii	3.132 (5)	C20—H203	0.9800
K3—O19^v	3.238 (7)	C21—C25	1.523 (8)
K3—K4^ii	3.887 (2)	C21—C24	1.533 (8)
K4—O1^vi	2.629 (4)	C21—C22	1.538 (9)
K4—O3	2.655 (4)	C22—C23	1.535 (8)
K4—O6^vii	2.741 (4)	C22—H22	1.0000
K4—O15^viii	2.751 (5)	C24—H241	0.9800
K4—O9	2.759 (4)	C24—H242	0.9800
K4—O11^viii	3.105 (6)	C24—H243	0.9800
K4—O21^viii	3.213 (6)	C25—H251	0.9800
K4—K3^viii	3.887 (2)	C25—H252	0.9800
K4—K1^ix	4.902 (2)	C25—H253	0.9800
S1—C1	1.867 (5)	C26—C29	1.524 (8)
S2—C6	1.856 (6)	C26—C30	1.527 (8)
S3—C11	1.867 (5)	C26—C27	1.551 (8)
S4—C16	1.862 (7)	C27—C28	1.565 (9)
S5—C21	1.863 (6)	C27—H27	1.0000
S6—C26	1.874 (7)	C29—H291	0.9800
O1—C3	1.243 (8)	C29—H292	0.9800
O1—K4^i	2.629 (4)	C29—H293	0.9800
O1—K1^viii	2.909 (5)	C30—H301	0.9800
O2—C3	1.248 (8)	C30—H302	0.9800
O3—C8	1.261 (7)	C30—H303	0.9800
O3—K3^viii	2.772 (4)	O15—K4^ii	2.751 (5)
O4—C8	1.237 (7)	O15—H15A	0.83 (3)
O4—K2^x	2.768 (5)	O15—H15B	0.86 (4)
O5—C13	1.246 (8)	O16—H16A	0.86 (4)
O5—K2^vi	2.705 (5)	O16—H16B	0.89 (4)
O6—C13	1.227 (7)	O17—H17A	1.02 (3)
O6—K4^xi	2.741 (4)	O17—H17B	0.82 (4)
O7—C18	1.252 (7)	O18—H18A	0.86 (3)
O8—C18	1.236 (7)	O18—H18B	0.93 (3)
O9—C23	1.252 (7)	O19—K3^xii	3.238 (7)
O9—K3^viii	3.132 (5)	O19—H19A	0.92 (4)
O10—C23	1.251 (6)	O19—H19B	0.95 (4)
O10—K1^viii	2.706 (4)	O20—H20A	0.80 (4)
O11—C28	1.249 (8)	O20—H20B	0.85 (4)
O11—K4^ii	3.105 (6)	O21—K4^ii	3.213 (6)
O12—C28	1.262 (7)	O21—H21A	0.97 (3)
O12—K1^vi	3.192 (5)	O21—H21B	0.83 (3)
O13—C31	1.227 (7)	O22—H22A	0.82 (4)
O13—K1^vi	2.651 (4)	O22—H22B	0.83 (3)
O13—K2^vi	2.738 (4)	O23—H23A	0.92 (4)
O14—C31	1.273 (7)	O23—H23B	0.83 (4)
N1—C2	1.494 (7)	O24—C32	1.435 (14)
N1—H1A	0.9200	O24—H24	0.83 (4)
N1—H1B	0.9200	C32—C33	1.44 (2)
N2—C7	1.493 (7)	C32—H321	0.9900
N2—H2A	0.9200	C32—H322	0.9900
N2—H2B	0.9200	C33—H331	0.9800
N3—C12	1.455 (7)	C33—H332	0.9800
N3—H3A	0.9200	C33—H333	0.9800
N3—H3B	0.9200	O25—C34	1.398 (16)
N4—C17	1.480 (7)	O25—H25	0.90 (4)
N4—H4A	0.9200	C34—C35	1.317 (19)
N4—H4B	0.9200	C34—H341	0.9900
N5—C22	1.496 (7)	C34—H342	0.9900
N5—H5A	0.9100	C35—H351	0.9800
N5—H5B	0.9100	C35—H352	0.9800
N5—H5C	0.9100	C35—H353	0.9800
S5—Au1—S1	175.40 (6)	K4—O9—K3^viii	82.30 (13)
S5—Au1—Ni1	127.70 (4)	C23—O10—K1^viii	140.1 (4)
S1—Au1—Ni1	47.75 (4)	C28—O11—K4^ii	164.7 (4)
S5—Au1—Au2	99.12 (4)	C28—O12—K1^vi	87.1 (4)
S1—Au1—Au2	79.19 (4)	C31—O13—K1^vi	144.6 (4)
Ni1—Au1—Au2	73.708 (19)	C31—O13—K2^vi	116.9 (4)
S5—Au1—Au4	92.55 (4)	K1^vi—O13—K2^vi	91.33 (12)
S1—Au1—Au4	90.37 (4)	C2—N1—Ni1	118.5 (4)
Ni1—Au1—Au4	123.844 (18)	C2—N1—H1A	107.7
Au2—Au1—Au4	61.209 (11)	Ni1—N1—H1A	107.7
S5—Au1—Au3	46.31 (4)	C2—N1—H1B	107.7
S1—Au1—Au3	138.17 (4)	Ni1—N1—H1B	107.7
Ni1—Au1—Au3	173.213 (17)	H1A—N1—H1B	107.1
Au2—Au1—Au3	103.046 (15)	C7—N2—Ni1	116.2 (4)
Au4—Au1—Au3	57.486 (8)	C7—N2—H2A	108.2
S2—Au2—S6	177.61 (6)	Ni1—N2—H2A	108.2
S2—Au2—Au1	86.48 (4)	C7—N2—H2B	108.2
S6—Au2—Au1	95.78 (4)	Ni1—N2—H2B	108.2
S2—Au2—Au4	134.51 (4)	H2A—N2—H2B	107.4
S6—Au2—Au4	46.65 (4)	C12—N3—Ni2	118.3 (4)
Au1—Au2—Au4	61.095 (13)	C12—N3—H3A	107.7
S3—Au3—S5	173.69 (5)	Ni2—N3—H3A	107.7
S3—Au3—Au4	87.30 (4)	C12—N3—H3B	107.7
S5—Au3—Au4	96.11 (4)	Ni2—N3—H3B	107.7
S3—Au3—Au1	131.96 (4)	H3A—N3—H3B	107.1
S5—Au3—Au1	46.88 (4)	C17—N4—Ni2	115.5 (4)
Au4—Au3—Au1	61.169 (13)	C17—N4—H4A	108.4
S4—Au4—S6	177.97 (6)	Ni2—N4—H4A	108.4
S4—Au4—Au3	81.37 (4)	C17—N4—H4B	108.4
S6—Au4—Au3	99.02 (4)	Ni2—N4—H4B	108.4
S4—Au4—Ni2	43.69 (4)	H4A—N4—H4B	107.5
S6—Au4—Ni2	134.50 (4)	C22—N5—H5A	109.5
Au3—Au4—Ni2	73.00 (2)	C22—N5—H5B	109.5
S4—Au4—Au1	89.05 (4)	H5A—N5—H5B	109.5
S6—Au4—Au1	92.88 (4)	C22—N5—H5C	109.5
Au3—Au4—Au1	61.344 (12)	H5A—N5—H5C	109.5
Ni2—Au4—Au1	118.742 (16)	H5B—N5—H5C	109.5
S4—Au4—Au2	135.28 (3)	C31—N6—C27	121.5 (4)
S6—Au4—Au2	46.61 (4)	C31—N6—H6	119.2
Au3—Au4—Au2	103.302 (16)	C27—N6—H6	119.2
Ni2—Au4—Au2	176.101 (18)	C5—C1—C2	112.1 (5)
Au1—Au4—Au2	57.696 (8)	C5—C1—C4	110.4 (5)
N1—Ni1—N2	92.0 (2)	C2—C1—C4	112.1 (5)
N1—Ni1—S1	87.60 (16)	C5—C1—S1	107.9 (4)
N2—Ni1—S1	172.03 (15)	C2—C1—S1	106.1 (4)
N1—Ni1—S2	173.77 (15)	C4—C1—S1	108.0 (4)
N2—Ni1—S2	87.45 (14)	N1—C2—C1	109.5 (5)
S1—Ni1—S2	93.75 (6)	N1—C2—C3	109.6 (5)
N1—Ni1—Au1	91.53 (14)	C1—C2—C3	115.9 (5)
N2—Ni1—Au1	118.89 (14)	N1—C2—H2	107.1
S1—Ni1—Au1	53.19 (4)	C1—C2—H2	107.1
S2—Ni1—Au1	94.15 (5)	C3—C2—H2	107.1
N4—Ni2—N3	90.1 (2)	O1—C3—O2	125.5 (5)
N4—Ni2—S3	174.26 (16)	O1—C3—C2	118.3 (5)
N3—Ni2—S3	86.66 (17)	O2—C3—C2	116.1 (6)
N4—Ni2—S4	88.41 (14)	C1—C4—H41	109.5
N3—Ni2—S4	175.90 (14)	C1—C4—H42	109.5
S3—Ni2—S4	95.17 (6)	H41—C4—H42	109.5
N4—Ni2—Au4	98.85 (15)	C1—C4—H43	109.5
N3—Ni2—Au4	129.50 (14)	H41—C4—H43	109.5
S3—Ni2—Au4	86.87 (5)	H42—C4—H43	109.5
S4—Ni2—Au4	47.12 (4)	C1—C5—H51	109.5
O13^i—K1—O10^ii	166.27 (14)	C1—C5—H52	109.5
O13^i—K1—O7	78.11 (14)	H51—C5—H52	109.5
O10^ii—K1—O7	89.29 (14)	C1—C5—H53	109.5
O13^i—K1—O16	73.90 (14)	H51—C5—H53	109.5
O10^ii—K1—O16	98.24 (16)	H52—C5—H53	109.5
O7—K1—O16	77.47 (16)	C10—C6—C9	111.5 (5)
O13^i—K1—O1^ii	103.60 (13)	C10—C6—C7	110.8 (5)
O10^ii—K1—O1^ii	87.23 (13)	C9—C6—C7	111.0 (5)
O7—K1—O1^ii	165.38 (14)	C10—C6—S2	107.8 (5)
O16—K1—O1^ii	88.98 (16)	C9—C6—S2	111.8 (4)
O13^i—K1—O8	100.80 (14)	C7—C6—S2	103.7 (4)
O10^ii—K1—O8	73.34 (14)	N2—C7—C6	109.3 (4)
O7—K1—O8	45.36 (12)	N2—C7—C8	111.1 (5)
O16—K1—O8	121.35 (15)	C6—C7—C8	112.4 (4)
O1^ii—K1—O8	145.46 (12)	N2—C7—H7	107.9
O13^i—K1—O17	117.93 (14)	C6—C7—H7	107.9
O10^ii—K1—O17	74.16 (14)	C8—C7—H7	107.9
O7—K1—O17	127.60 (14)	O4—C8—O3	127.6 (6)
O16—K1—O17	152.69 (18)	O4—C8—C7	116.5 (5)
O1^ii—K1—O17	64.80 (14)	O3—C8—C7	116.0 (5)
O8—K1—O17	82.27 (14)	C6—C9—H91	109.5
O13^i—K1—O12^i	71.43 (12)	C6—C9—H92	109.5
O10^ii—K1—O12^i	116.07 (14)	H91—C9—H92	109.5
O7—K1—O12^i	96.92 (14)	C6—C9—H93	109.5
O16—K1—O12^i	145.28 (14)	H91—C9—H93	109.5
O1^ii—K1—O12^i	97.36 (13)	H92—C9—H93	109.5
O8—K1—O12^i	67.85 (12)	C6—C10—H101	109.5
O17—K1—O12^i	52.37 (14)	C6—C10—H102	109.5
O13^i—K1—K2	45.24 (9)	H101—C10—H102	109.5
O10^ii—K1—K2	121.42 (11)	C6—C10—H103	109.5
O7—K1—K2	46.57 (9)	H101—C10—H103	109.5
O16—K1—K2	45.09 (13)	H102—C10—H103	109.5
O1^ii—K1—K2	125.13 (9)	C15—C11—C14	113.2 (5)
O8—K1—K2	89.40 (9)	C15—C11—C12	111.4 (5)
O17—K1—K2	159.41 (12)	C14—C11—C12	110.6 (5)
O12^i—K1—K2	107.05 (10)	C15—C11—S3	109.0 (4)
O13^i—K1—K3	125.47 (11)	C14—C11—S3	110.7 (4)
O10^ii—K1—K3	58.19 (12)	C12—C11—S3	101.2 (4)
O7—K1—K3	86.68 (9)	N3—C12—C13	112.0 (5)
O16—K1—K3	152.01 (12)	N3—C12—C11	108.5 (4)
O1^ii—K1—K3	103.43 (9)	C13—C12—C11	116.0 (5)
O8—K1—K3	42.04 (9)	N3—C12—H12	106.6
O17—K1—K3	42.20 (10)	C13—C12—H12	106.6
O12^i—K1—K3	58.80 (8)	C11—C12—H12	106.6
K2—K1—K3	131.33 (5)	O6—C13—O5	126.2 (6)
O13^i—K1—K4^iii	87.97 (10)	O6—C13—C12	117.4 (6)
O10^ii—K1—K4^iii	105.11 (10)	O5—C13—C12	116.2 (5)
O7—K1—K4^iii	164.70 (11)	C11—C14—H141	109.5
O16—K1—K4^iii	104.92 (13)	C11—C14—H142	109.5
O1^ii—K1—K4^iii	26.24 (9)	H141—C14—H142	109.5
O8—K1—K4^iii	133.60 (10)	C11—C14—H143	109.5
O17—K1—K4^iii	54.30 (10)	H141—C14—H143	109.5
O12^i—K1—K4^iii	72.36 (9)	H142—C14—H143	109.5
K2—K1—K4^iii	125.08 (4)	C11—C15—H151	109.5
K3—K1—K4^iii	96.47 (4)	C11—C15—H152	109.5
O5^i—K2—O16	118.52 (18)	H151—C15—H152	109.5
O5^i—K2—O13^i	105.16 (13)	C11—C15—H153	109.5
O16—K2—O13^i	73.77 (16)	H151—C15—H153	109.5
O5^i—K2—O4^iv	87.77 (15)	H152—C15—H153	109.5
O16—K2—O4^iv	139.86 (16)	C20—C16—C19	111.2 (5)
O13^i—K2—O4^iv	131.29 (15)	C20—C16—C17	111.4 (5)
O5^i—K2—O7	163.28 (18)	C19—C16—C17	112.8 (5)
O16—K2—O7	78.03 (15)	C20—C16—S4	109.7 (5)
O13^i—K2—O7	76.00 (12)	C19—C16—S4	105.7 (4)
O4^iv—K2—O7	79.57 (13)	C17—C16—S4	105.7 (4)
O5^i—K2—O19	89.46 (14)	N4—C17—C16	109.9 (5)
O16—K2—O19	79.57 (17)	N4—C17—C18	110.7 (5)
O13^i—K2—O19	153.24 (17)	C16—C17—C18	114.8 (4)
O4^iv—K2—O19	70.35 (15)	N4—C17—H17	107.0
O7—K2—O19	96.42 (14)	C16—C17—H17	107.0
O5^i—K2—K1	143.97 (11)	C18—C17—H17	107.0
O16—K2—K1	46.69 (12)	O8—C18—O7	127.1 (6)
O13^i—K2—K1	43.43 (9)	O8—C18—C17	116.3 (5)
O4^iv—K2—K1	125.01 (10)	O7—C18—C17	116.5 (5)
O7—K2—K1	45.70 (9)	C16—C19—H191	109.5
O19—K2—K1	113.82 (12)	C16—C19—H192	109.5
O8—K3—O17	93.14 (15)	H191—C19—H192	109.5
O8—K3—O3^ii	142.63 (13)	C16—C19—H193	109.5
O17—K3—O3^ii	109.39 (15)	H191—C19—H193	109.5
O8—K3—O24	89.43 (16)	H192—C19—H193	109.5
O17—K3—O24	82.89 (18)	C16—C20—H201	109.5
O3^ii—K3—O24	121.83 (15)	C16—C20—H202	109.5
O8—K3—O15	58.45 (12)	H201—C20—H202	109.5
O17—K3—O15	143.45 (16)	C16—C20—H203	109.5
O3^ii—K3—O15	87.49 (13)	H201—C20—H203	109.5
O24—K3—O15	116.18 (18)	H202—C20—H203	109.5
O8—K3—O18	151.33 (13)	C25—C21—C24	110.2 (5)
O17—K3—O18	61.59 (15)	C25—C21—C22	108.9 (5)
O3^ii—K3—O18	64.32 (12)	C24—C21—C22	110.2 (5)
O24—K3—O18	74.99 (18)	C25—C21—S5	111.3 (5)
O15—K3—O18	150.18 (13)	C24—C21—S5	106.7 (4)
O8—K3—O9^ii	83.87 (13)	C22—C21—S5	109.5 (4)
O17—K3—O9^ii	97.67 (16)	N5—C22—C23	109.0 (4)
O3^ii—K3—O9^ii	64.34 (12)	N5—C22—C21	112.0 (4)
O24—K3—O9^ii	173.30 (16)	C23—C22—C21	116.0 (5)
O15—K3—O9^ii	59.82 (13)	N5—C22—H22	106.4
O18—K3—O9^ii	111.19 (15)	C23—C22—H22	106.4
O8—K3—O19^v	130.32 (17)	C21—C22—H22	106.4
O17—K3—O19^v	130.11 (16)	O10—C23—O9	125.9 (5)
O3^ii—K3—O19^v	52.64 (15)	O10—C23—C22	116.2 (5)
O24—K3—O19^v	75.56 (16)	O9—C23—C22	117.8 (4)
O15—K3—O19^v	86.07 (14)	C21—C24—H241	109.5
O18—K3—O19^v	69.49 (15)	C21—C24—H242	109.5
O9^ii—K3—O19^v	108.69 (13)	H241—C24—H242	109.5
O8—K3—K4^ii	100.45 (10)	C21—C24—H243	109.5
O17—K3—K4^ii	137.06 (14)	H241—C24—H243	109.5
O3^ii—K3—K4^ii	43.08 (8)	H242—C24—H243	109.5
O24—K3—K4^ii	137.17 (13)	C21—C25—H251	109.5
O15—K3—K4^ii	44.87 (9)	C21—C25—H252	109.5
O18—K3—K4^ii	107.36 (10)	H251—C25—H252	109.5
O9^ii—K3—K4^ii	44.70 (8)	C21—C25—H253	109.5
O19^v—K3—K4^ii	66.28 (10)	H251—C25—H253	109.5
O8—K3—K1	47.29 (10)	H252—C25—H253	109.5
O17—K3—K1	48.25 (11)	C29—C26—C30	111.9 (5)
O3^ii—K3—K1	134.74 (11)	C29—C26—C27	110.0 (4)
O24—K3—K1	96.54 (12)	C30—C26—C27	112.5 (6)
O15—K3—K1	96.74 (10)	C29—C26—S6	103.7 (5)
O18—K3—K1	109.81 (11)	C30—C26—S6	112.0 (4)
O9^ii—K3—K1	79.08 (8)	C27—C26—S6	106.3 (4)
O19^v—K3—K1	172.04 (12)	N6—C27—C26	112.0 (4)
K4^ii—K3—K1	120.74 (5)	N6—C27—C28	109.1 (5)
O1^vi—K4—O3	166.03 (17)	C26—C27—C28	109.2 (5)
O1^vi—K4—O6^vii	73.72 (13)	N6—C27—H27	108.9
O3—K4—O6^vii	101.49 (14)	C26—C27—H27	108.9
O1^vi—K4—O15^viii	94.13 (14)	C28—C27—H27	108.9
O3—K4—O15^viii	94.67 (14)	O11—C28—O12	124.4 (6)
O6^vii—K4—O15^viii	156.39 (18)	O11—C28—C27	119.0 (5)
O1^vi—K4—O9	102.32 (14)	O12—C28—C27	116.6 (6)
O3—K4—O9	71.34 (12)	C26—C29—H291	109.5
O6^vii—K4—O9	134.46 (18)	C26—C29—H292	109.5
O15^viii—K4—O9	67.18 (15)	H291—C29—H292	109.5
O1^vi—K4—O11^viii	74.75 (15)	C26—C29—H293	109.5
O3—K4—O11^viii	119.21 (14)	H291—C29—H293	109.5
O6^vii—K4—O11^viii	102.50 (16)	H292—C29—H293	109.5
O15^viii—K4—O11^viii	54.20 (13)	C26—C30—H301	109.5
O9—K4—O11^viii	120.53 (14)	C26—C30—H302	109.5
O1^vi—K4—O21^viii	108.27 (15)	H301—C30—H302	109.5
O3—K4—O21^viii	82.58 (13)	C26—C30—H303	109.5
O6^vii—K4—O21^viii	75.44 (15)	H301—C30—H303	109.5
O15^viii—K4—O21^viii	89.89 (15)	H302—C30—H303	109.5
O9—K4—O21^viii	142.93 (13)	O13—C31—O14	126.1 (6)
O11^viii—K4—O21^viii	51.82 (13)	O13—C31—N6	118.4 (5)
O1^vi—K4—K3^viii	140.26 (10)	O14—C31—N6	115.5 (5)
O3—K4—K3^viii	45.47 (9)	K4^ii—O15—K3	85.41 (14)
O6^vii—K4—K3^viii	146.01 (10)	K4^ii—O15—H15A	155 (5)
O15^viii—K4—K3^viii	49.72 (10)	K3—O15—H15A	79 (4)
O9—K4—K3^viii	53.00 (10)	K4^ii—O15—H15B	89 (4)
O11^viii—K4—K3^viii	91.34 (9)	K3—O15—H15B	112 (5)
O21^viii—K4—K3^viii	89.93 (9)	H15A—O15—H15B	116 (6)
O1^vi—K4—K1^ix	29.29 (12)	K2—O16—K1	88.22 (18)
O3—K4—K1^ix	164.61 (11)	K2—O16—H16A	90 (6)
O6^vii—K4—K1^ix	82.54 (11)	K1—O16—H16A	97 (5)
O15^viii—K4—K1^ix	77.56 (10)	K2—O16—H16B	134 (4)
O9—K4—K1^ix	116.41 (9)	K1—O16—H16B	130 (5)
O11^viii—K4—K1^ix	45.56 (9)	H16A—O16—H16B	107 (5)
O21^viii—K4—K1^ix	84.12 (10)	K3—O17—K1	89.55 (15)
K3^viii—K4—K1^ix	126.99 (5)	K3—O17—H17A	152 (4)
C1—S1—Ni1	100.8 (2)	K1—O17—H17A	105 (4)
C1—S1—Au1	106.8 (2)	K3—O17—H17B	102 (5)
Ni1—S1—Au1	79.06 (6)	K1—O17—H17B	48 (6)
C6—S2—Ni1	101.8 (2)	H17A—O17—H17B	105 (5)
C6—S2—Au2	106.34 (18)	K3—O18—H18A	117 (4)
Ni1—S2—Au2	105.62 (6)	K3—O18—H18B	103 (5)
C11—S3—Ni2	99.3 (2)	H18A—O18—H18B	96 (4)
C11—S3—Au3	109.7 (2)	K2—O19—K3^xii	134.9 (2)
Ni2—S3—Au3	112.31 (6)	K2—O19—H19A	98 (5)
C16—S4—Ni2	100.39 (19)	K3^xii—O19—H19A	45 (5)
C16—S4—Au4	105.93 (18)	K2—O19—H19B	77 (5)
Ni2—S4—Au4	89.19 (5)	K3^xii—O19—H19B	119 (5)
C21—S5—Au3	102.1 (2)	H19A—O19—H19B	89 (4)
C21—S5—Au1	108.95 (18)	H20A—O20—H20B	115 (6)
Au3—S5—Au1	86.81 (6)	K4^ii—O21—H21A	79 (4)
C26—S6—Au2	103.94 (18)	K4^ii—O21—H21B	67 (6)
C26—S6—Au4	110.2 (2)	H21A—O21—H21B	108 (5)
Au2—S6—Au4	86.74 (5)	H22A—O22—H22B	120 (6)
C3—O1—K4^i	127.5 (4)	H23A—O23—H23B	103 (5)
C3—O1—K1^viii	107.4 (4)	C32—O24—K3	115.1 (6)
K4^i—O1—K1^viii	124.46 (19)	C32—O24—H24	141 (6)
C8—O3—K4	135.2 (4)	K3—O24—H24	62 (6)
C8—O3—K3^viii	129.7 (3)	O24—C32—C33	113.3 (9)
K4—O3—K3^viii	91.46 (13)	O24—C32—H321	108.9
C8—O4—K2^x	126.6 (4)	C33—C32—H321	108.9
C13—O5—K2^vi	157.2 (5)	O24—C32—H322	108.9
C13—O6—K4^xi	121.5 (4)	C33—C32—H322	108.9
C18—O7—K1	96.9 (4)	H321—C32—H322	107.7
C18—O7—K2	145.5 (4)	C34—O25—H25	108 (6)
K1—O7—K2	87.74 (12)	C35—C34—O25	109.7 (14)
C18—O8—K3	176.1 (5)	C35—C34—H341	109.7
C18—O8—K1	86.5 (4)	O25—C34—H341	109.7
K3—O8—K1	90.67 (14)	C35—C34—H342	109.7
C23—O9—K4	147.8 (4)	O25—C34—H342	109.7
C23—O9—K3^viii	96.9 (4)	H341—C34—H342	108.2
S5—Au1—Au2—S2	−125.35 (6)	O21^viii—K4—O3—C8	103.9 (5)
S1—Au1—Au2—S2	50.31 (6)	K3^viii—K4—O3—C8	−158.8 (6)
Ni1—Au1—Au2—S2	1.40 (4)	K1^ix—K4—O3—C8	134.4 (5)
Au4—Au1—Au2—S2	146.76 (4)	O1^vi—K4—O3—K3^viii	120.9 (5)
Au3—Au1—Au2—S2	−172.43 (4)	O6^vii—K4—O3—K3^viii	−170.69 (16)
S5—Au1—Au2—S6	55.46 (6)	O15^viii—K4—O3—K3^viii	−7.98 (16)
S1—Au1—Au2—S6	−128.88 (6)	O9—K4—O3—K3^viii	56.02 (14)
Ni1—Au1—Au2—S6	−177.78 (4)	O11^viii—K4—O3—K3^viii	−59.17 (16)
Au4—Au1—Au2—S6	−32.43 (4)	O21^viii—K4—O3—K3^viii	−97.26 (14)
Au3—Au1—Au2—S6	8.38 (4)	K1^ix—K4—O3—K3^viii	−66.8 (4)
S5—Au1—Au2—Au4	87.89 (4)	O13^i—K1—O7—C18	−108.0 (4)
S1—Au1—Au2—Au4	−96.45 (4)	O10^ii—K1—O7—C18	77.5 (4)
Ni1—Au1—Au2—Au4	−145.355 (19)	O16—K1—O7—C18	176.1 (4)
Au3—Au1—Au2—Au4	40.808 (10)	O1^ii—K1—O7—C18	153.7 (5)
S5—Au1—Au3—S3	171.58 (7)	O8—K1—O7—C18	10.5 (3)
S1—Au1—Au3—S3	−9.92 (7)	O17—K1—O7—C18	8.2 (4)
Au2—Au1—Au3—S3	−98.22 (5)	O12^i—K1—O7—C18	−38.7 (4)
Au4—Au1—Au3—S3	−55.44 (5)	K2—K1—O7—C18	−145.7 (4)
S1—Au1—Au3—S5	178.50 (7)	K3—K1—O7—C18	19.3 (3)
Au2—Au1—Au3—S5	90.21 (5)	K4^iii—K1—O7—C18	−83.2 (5)
Au4—Au1—Au3—S5	132.99 (5)	O13^i—K1—O7—K2	37.67 (13)
S5—Au1—Au3—Au4	−132.99 (5)	O10^ii—K1—O7—K2	−136.84 (15)
S1—Au1—Au3—Au4	45.51 (5)	O16—K1—O7—K2	−38.24 (14)
Au2—Au1—Au3—Au4	−42.780 (10)	O1^ii—K1—O7—K2	−60.6 (5)
S3—Au3—Au4—S4	48.53 (5)	O8—K1—O7—K2	156.2 (2)
S5—Au3—Au4—S4	−126.14 (5)	O17—K1—O7—K2	153.89 (14)
Au1—Au3—Au4—S4	−93.66 (4)	O12^i—K1—O7—K2	106.97 (12)
S3—Au3—Au4—S6	−129.46 (5)	K3—K1—O7—K2	164.98 (11)
S5—Au3—Au4—S6	55.87 (5)	K4^iii—K1—O7—K2	62.5 (4)
Au1—Au3—Au4—S6	88.35 (4)	O5^i—K2—O7—C18	−33.9 (9)
S3—Au3—Au4—Ni2	4.45 (4)	O16—K2—O7—C18	138.3 (7)
S5—Au3—Au4—Ni2	−170.22 (4)	O13^i—K2—O7—C18	62.3 (7)
Au1—Au3—Au4—Ni2	−137.737 (16)	O4^iv—K2—O7—C18	−75.2 (7)
S3—Au3—Au4—Au1	142.19 (4)	O19—K2—O7—C18	−143.8 (7)
S5—Au3—Au4—Au1	−32.48 (4)	K1—K2—O7—C18	98.9 (7)
S3—Au3—Au4—Au2	−176.84 (3)	O5^i—K2—O7—K1	−132.8 (4)
S5—Au3—Au4—Au2	8.50 (4)	O16—K2—O7—K1	39.39 (15)
Au1—Au3—Au4—Au2	40.975 (11)	O13^i—K2—O7—K1	−36.64 (14)
S5—Au1—Au4—S4	112.65 (5)	O4^iv—K2—O7—K1	−174.14 (15)
S1—Au1—Au4—S4	−70.91 (5)	O19—K2—O7—K1	117.26 (15)
Ni1—Au1—Au4—S4	−107.28 (4)	O17—K3—O8—K1	16.60 (16)
Au2—Au1—Au4—S4	−148.35 (4)	O3^ii—K3—O8—K1	−111.7 (2)
Au3—Au1—Au4—S4	80.68 (4)	O24—K3—O8—K1	99.45 (16)
S5—Au1—Au4—S6	−66.74 (5)	O15—K3—O8—K1	−138.96 (19)
S1—Au1—Au4—S6	109.71 (5)	O18—K3—O8—K1	43.4 (4)
Ni1—Au1—Au4—S6	73.34 (4)	O9^ii—K3—O8—K1	−80.79 (13)
Au2—Au1—Au4—S6	32.27 (4)	O19^v—K3—O8—K1	169.85 (15)
Au3—Au1—Au4—S6	−98.70 (4)	K4^ii—K3—O8—K1	−122.48 (9)
S5—Au1—Au4—Au3	31.97 (4)	O13^i—K1—O8—C18	50.6 (4)
S1—Au1—Au4—Au3	−151.59 (3)	O10^ii—K1—O8—C18	−116.7 (4)
Ni1—Au1—Au4—Au3	172.046 (19)	O7—K1—O8—C18	−10.6 (3)
Au2—Au1—Au4—Au3	130.976 (13)	O16—K1—O8—C18	−27.1 (4)
S5—Au1—Au4—Ni2	79.15 (4)	O1^ii—K1—O8—C18	−175.1 (3)
S1—Au1—Au4—Ni2	−104.41 (4)	O17—K1—O8—C18	167.6 (4)
Ni1—Au1—Au4—Ni2	−140.77 (2)	O12^i—K1—O8—C18	115.2 (4)
Au2—Au1—Au4—Ni2	178.158 (18)	K2—K1—O8—C18	6.5 (3)
Au3—Au1—Au4—Ni2	47.18 (2)	K3—K1—O8—C18	−177.3 (4)
S5—Au1—Au4—Au2	−99.01 (4)	K4^iii—K1—O8—C18	148.1 (3)
S1—Au1—Au4—Au2	77.44 (4)	O13^i—K1—O8—K3	−132.11 (13)
Ni1—Au1—Au4—Au2	41.07 (2)	O10^ii—K1—O8—K3	60.68 (14)
Au3—Au1—Au4—Au2	−130.976 (13)	O7—K1—O8—K3	166.8 (2)
S2—Au2—Au4—S4	−1.90 (8)	O16—K1—O8—K3	150.27 (16)
S6—Au2—Au4—S4	−178.99 (8)	O1^ii—K1—O8—K3	2.2 (3)
Au1—Au2—Au4—S4	48.21 (6)	O17—K1—O8—K3	−15.03 (14)
S2—Au2—Au4—S6	177.09 (8)	O12^i—K1—O8—K3	−67.43 (13)
Au1—Au2—Au4—S6	−132.80 (6)	K2—K1—O8—K3	−176.15 (11)
S2—Au2—Au4—Au3	−93.01 (6)	K4^iii—K1—O8—K3	−34.54 (18)
S6—Au2—Au4—Au3	89.89 (6)	O1^vi—K4—O9—C23	54.5 (8)
Au1—Au2—Au4—Au3	−42.905 (12)	O3—K4—O9—C23	−138.4 (8)
S2—Au2—Au4—Au1	−50.11 (6)	O6^vii—K4—O9—C23	133.7 (7)
S6—Au2—Au4—Au1	132.80 (6)	O15^viii—K4—O9—C23	−34.8 (8)
S5—Au1—Ni1—N1	−95.04 (17)	O11^viii—K4—O9—C23	−24.9 (8)
S1—Au1—Ni1—N1	85.86 (17)	O21^viii—K4—O9—C23	−90.7 (8)
Au2—Au1—Ni1—N1	175.94 (17)	K3^viii—K4—O9—C23	−90.6 (8)
Au4—Au1—Ni1—N1	139.08 (16)	K1^ix—K4—O9—C23	27.2 (8)
S5—Au1—Ni1—N2	−1.86 (17)	O1^vi—K4—O9—K3^viii	145.18 (13)
S1—Au1—Ni1—N2	179.05 (17)	O3—K4—O9—K3^viii	−47.75 (12)
Au2—Au1—Ni1—N2	−90.87 (16)	O6^vii—K4—O9—K3^viii	−135.64 (16)
Au4—Au1—Ni1—N2	−127.73 (16)	O15^viii—K4—O9—K3^viii	55.86 (13)
S5—Au1—Ni1—S1	179.10 (7)	O11^viii—K4—O9—K3^viii	65.76 (14)
Au2—Au1—Ni1—S1	90.08 (5)	O21^viii—K4—O9—K3^viii	0.0 (3)
Au4—Au1—Ni1—S1	53.23 (5)	K1^ix—K4—O9—K3^viii	117.83 (8)
S5—Au1—Ni1—S2	87.52 (7)	N2—Ni1—N1—C2	−159.3 (4)
S1—Au1—Ni1—S2	−91.58 (7)	S1—Ni1—N1—C2	12.7 (4)
Au2—Au1—Ni1—S2	−1.49 (5)	Au1—Ni1—N1—C2	−40.3 (4)
Au4—Au1—Ni1—S2	−38.35 (5)	N1—Ni1—N2—C7	−156.2 (4)
S4—Au4—Ni2—N4	79.46 (15)	S2—Ni1—N2—C7	17.6 (3)
S6—Au4—Ni2—N4	−99.26 (15)	Au1—Ni1—N2—C7	110.9 (3)
Au3—Au4—Ni2—N4	174.78 (14)	N4—Ni2—N3—C12	−167.4 (4)
Au1—Au4—Ni2—N4	132.48 (14)	S3—Ni2—N3—C12	7.9 (4)
S4—Au4—Ni2—N3	176.9 (2)	Au4—Ni2—N3—C12	91.0 (4)
S6—Au4—Ni2—N3	−1.8 (2)	N3—Ni2—N4—C17	−152.1 (4)
Au3—Au4—Ni2—N3	−87.8 (2)	S4—Ni2—N4—C17	24.1 (3)
Au1—Au4—Ni2—N3	−130.1 (2)	Au4—Ni2—N4—C17	−22.0 (4)
S4—Au4—Ni2—S3	−100.02 (7)	Ni1—S1—C1—C5	−153.6 (4)
S6—Au4—Ni2—S3	81.25 (8)	Au1—S1—C1—C5	−71.9 (5)
Au3—Au4—Ni2—S3	−4.70 (4)	Ni1—S1—C1—C2	−33.2 (4)
Au1—Au4—Ni2—S3	−47.01 (4)	Au1—S1—C1—C2	48.5 (4)
S6—Au4—Ni2—S4	−178.73 (8)	Ni1—S1—C1—C4	87.1 (5)
Au3—Au4—Ni2—S4	95.32 (6)	Au1—S1—C1—C4	168.8 (4)
Au1—Au4—Ni2—S4	53.02 (6)	Ni1—N1—C2—C1	−38.6 (5)
O13^i—K1—K2—O5^i	36.3 (3)	Ni1—N1—C2—C3	−166.8 (4)
O10^ii—K1—K2—O5^i	−147.8 (3)	C5—C1—C2—N1	162.3 (4)
O7—K1—K2—O5^i	159.0 (3)	C4—C1—C2—N1	−72.9 (5)
O16—K1—K2—O5^i	−79.6 (3)	S1—C1—C2—N1	44.8 (5)
O1^ii—K1—K2—O5^i	−36.6 (3)	C5—C1—C2—C3	−73.0 (6)
O8—K1—K2—O5^i	142.2 (2)	C4—C1—C2—C3	51.8 (7)
O17—K1—K2—O5^i	76.5 (4)	S1—C1—C2—C3	169.4 (4)
O12^i—K1—K2—O5^i	75.7 (2)	K4^i—O1—C3—O2	−71.7 (8)
K3—K1—K2—O5^i	138.8 (2)	K1^viii—O1—C3—O2	99.7 (7)
K4^iii—K1—K2—O5^i	−4.4 (2)	K4^i—O1—C3—C2	110.1 (5)
O13^i—K1—K2—O16	115.9 (2)	K1^viii—O1—C3—C2	−78.4 (5)
O10^ii—K1—K2—O16	−68.2 (2)	K4^i—O1—C3—K1^viii	−171.5 (5)
O7—K1—K2—O16	−121.4 (2)	K1^viii—O1—C3—K4^i	171.5 (5)
O1^ii—K1—K2—O16	42.95 (19)	N1—C2—C3—O1	−7.2 (8)
O8—K1—K2—O16	−138.17 (18)	C1—C2—C3—O1	−131.8 (6)
O17—K1—K2—O16	156.1 (3)	N1—C2—C3—O2	174.5 (5)
O12^i—K1—K2—O16	155.26 (18)	C1—C2—C3—O2	49.9 (7)
K3—K1—K2—O16	−141.60 (17)	N1—C2—C3—K1^viii	−59.2 (4)
K4^iii—K1—K2—O16	75.17 (16)	C1—C2—C3—K1^viii	176.2 (4)
O10^ii—K1—K2—O13^i	175.9 (2)	N1—C2—C3—K4^i	34.9 (6)
O7—K1—K2—O13^i	122.6 (2)	C1—C2—C3—K4^i	−89.7 (6)
O16—K1—K2—O13^i	−115.9 (2)	Ni1—S2—C6—C10	−151.0 (3)
O1^ii—K1—K2—O13^i	−72.97 (19)	Au2—S2—C6—C10	98.6 (4)
O8—K1—K2—O13^i	105.92 (18)	Ni1—S2—C6—C9	86.1 (4)
O17—K1—K2—O13^i	40.2 (3)	Au2—S2—C6—C9	−24.2 (5)
O12^i—K1—K2—O13^i	39.34 (17)	Ni1—S2—C6—C7	−33.6 (4)
K3—K1—K2—O13^i	102.48 (16)	Au2—S2—C6—C7	−143.9 (3)
K4^iii—K1—K2—O13^i	−40.75 (16)	Ni1—N2—C7—C6	−45.3 (5)
O13^i—K1—K2—O4^iv	−115.6 (2)	Ni1—N2—C7—C8	−169.9 (3)
O10^ii—K1—K2—O4^iv	60.3 (2)	C10—C6—C7—N2	164.4 (5)
O7—K1—K2—O4^iv	7.04 (18)	C9—C6—C7—N2	−71.1 (6)
O16—K1—K2—O4^iv	128.5 (2)	S2—C6—C7—N2	49.1 (5)
O1^ii—K1—K2—O4^iv	171.44 (16)	C10—C6—C7—C8	−71.7 (6)
O8—K1—K2—O4^iv	−9.68 (16)	C9—C6—C7—C8	52.8 (6)
O17—K1—K2—O4^iv	−75.4 (3)	S2—C6—C7—C8	173.0 (4)
O12^i—K1—K2—O4^iv	−76.25 (16)	K2^x—O4—C8—O3	16.3 (8)
K3—K1—K2—O4^iv	−13.11 (16)	K2^x—O4—C8—C7	−162.2 (3)
K4^iii—K1—K2—O4^iv	−156.34 (13)	K4—O3—C8—O4	−96.1 (7)
O13^i—K1—K2—O7	−122.6 (2)	K3^viii—O3—C8—O4	111.8 (6)
O10^ii—K1—K2—O7	53.26 (19)	K4—O3—C8—C7	82.4 (6)
O16—K1—K2—O7	121.4 (2)	K3^viii—O3—C8—C7	−69.6 (6)
O1^ii—K1—K2—O7	164.40 (18)	N2—C7—C8—O4	−154.2 (5)
O8—K1—K2—O7	−16.72 (16)	C6—C7—C8—O4	83.0 (6)
O17—K1—K2—O7	−82.5 (3)	N2—C7—C8—O3	27.1 (6)
O12^i—K1—K2—O7	−83.29 (16)	C6—C7—C8—O3	−95.7 (6)
K3—K1—K2—O7	−20.15 (14)	Ni2—S3—C11—C15	−161.1 (4)
K4^iii—K1—K2—O7	−163.38 (15)	Au3—S3—C11—C15	81.1 (5)
O13^i—K1—K2—O19	162.44 (19)	Ni2—S3—C11—C14	73.7 (5)
O10^ii—K1—K2—O19	−21.67 (19)	Au3—S3—C11—C14	−44.2 (5)
O7—K1—K2—O19	−74.93 (18)	Ni2—S3—C11—C12	−43.5 (3)
O16—K1—K2—O19	46.52 (19)	Au3—S3—C11—C12	−161.4 (3)
O1^ii—K1—K2—O19	89.47 (17)	Ni2—N3—C12—C13	−170.0 (4)
O8—K1—K2—O19	−91.65 (15)	Ni2—N3—C12—C11	−40.6 (5)
O17—K1—K2—O19	−157.4 (3)	C15—C11—C12—N3	169.1 (5)
O12^i—K1—K2—O19	−158.22 (15)	C14—C11—C12—N3	−64.0 (5)
K3—K1—K2—O19	−95.08 (14)	S3—C11—C12—N3	53.3 (5)
K4^iii—K1—K2—O19	121.69 (13)	C15—C11—C12—C13	−63.8 (6)
O13^i—K1—K3—O8	63.48 (18)	C14—C11—C12—C13	63.0 (6)
O10^ii—K1—K3—O8	−100.61 (17)	S3—C11—C12—C13	−179.6 (4)
O7—K1—K3—O8	−9.38 (16)	K4^xi—O6—C13—O5	10.2 (10)
O16—K1—K3—O8	−64.5 (3)	K4^xi—O6—C13—C12	−174.4 (4)
O1^ii—K1—K3—O8	−178.69 (17)	K2^vi—O5—C13—O6	−102.6 (11)
O17—K1—K3—O8	157.5 (2)	K2^vi—O5—C13—C12	82.0 (11)
O12^i—K1—K3—O8	90.77 (17)	N3—C12—C13—O6	−142.5 (6)
K2—K1—K3—O8	5.14 (14)	C11—C12—C13—O6	92.2 (7)
K4^iii—K1—K3—O8	155.60 (14)	N3—C12—C13—O5	33.3 (8)
O13^i—K1—K3—O17	−94.0 (2)	C11—C12—C13—O5	−92.0 (7)
O10^ii—K1—K3—O17	101.9 (2)	Ni2—S4—C16—C20	−146.4 (4)
O7—K1—K3—O17	−166.89 (19)	Au4—S4—C16—C20	−54.2 (4)
O16—K1—K3—O17	138.0 (3)	Ni2—S4—C16—C19	93.7 (4)
O1^ii—K1—K3—O17	23.79 (18)	Au4—S4—C16—C19	−174.2 (3)
O8—K1—K3—O17	−157.5 (2)	Ni2—S4—C16—C17	−26.2 (4)
O12^i—K1—K3—O17	−66.75 (19)	Au4—S4—C16—C17	66.0 (4)
K2—K1—K3—O17	−152.38 (17)	Ni2—N4—C17—C16	−48.4 (5)
K4^iii—K1—K3—O17	−1.92 (16)	Ni2—N4—C17—C18	−176.3 (3)
O13^i—K1—K3—O3^ii	−169.08 (16)	C20—C16—C17—N4	165.2 (5)
O10^ii—K1—K3—O3^ii	26.84 (17)	C19—C16—C17—N4	−69.0 (6)
O7—K1—K3—O3^ii	118.07 (16)	S4—C16—C17—N4	46.1 (5)
O16—K1—K3—O3^ii	63.0 (3)	C20—C16—C17—C18	−69.2 (6)
O1^ii—K1—K3—O3^ii	−51.25 (16)	C19—C16—C17—C18	56.6 (6)
O8—K1—K3—O3^ii	127.45 (19)	S4—C16—C17—C18	171.7 (4)
O17—K1—K3—O3^ii	−75.0 (2)	K1—O8—C18—O7	21.1 (6)
O12^i—K1—K3—O3^ii	−141.79 (17)	K1—O8—C18—C17	−155.4 (4)
K2—K1—K3—O3^ii	132.58 (13)	K1—O7—C18—O8	−23.1 (6)
K4^iii—K1—K3—O3^ii	−76.96 (13)	K2—O7—C18—O8	−119.2 (7)
O13^i—K1—K3—O24	−19.66 (19)	K1—O7—C18—C17	153.4 (4)
O10^ii—K1—K3—O24	176.26 (18)	K2—O7—C18—C17	57.3 (8)
O7—K1—K3—O24	−92.51 (17)	N4—C17—C18—O8	−145.9 (5)
O16—K1—K3—O24	−147.6 (3)	C16—C17—C18—O8	88.9 (6)
O1^ii—K1—K3—O24	98.17 (17)	N4—C17—C18—O7	37.2 (6)
O8—K1—K3—O24	−83.14 (19)	C16—C17—C18—O7	−88.0 (6)
O17—K1—K3—O24	74.4 (2)	Au3—S5—C21—C25	−57.3 (4)
O12^i—K1—K3—O24	7.63 (17)	Au1—S5—C21—C25	33.5 (5)
K2—K1—K3—O24	−78.00 (15)	Au3—S5—C21—C24	63.0 (4)
K4^iii—K1—K3—O24	72.46 (15)	Au1—S5—C21—C24	153.8 (4)
O13^i—K1—K3—O15	97.77 (16)	Au3—S5—C21—C22	−177.7 (3)
O10^ii—K1—K3—O15	−66.31 (15)	Au1—S5—C21—C22	−87.0 (4)
O7—K1—K3—O15	24.92 (14)	C25—C21—C22—N5	164.0 (5)
O16—K1—K3—O15	−30.2 (3)	C24—C21—C22—N5	43.0 (6)
O1^ii—K1—K3—O15	−144.40 (14)	S5—C21—C22—N5	−74.1 (5)
O8—K1—K3—O15	34.30 (16)	C25—C21—C22—C23	−70.0 (6)
O17—K1—K3—O15	−168.2 (2)	C24—C21—C22—C23	169.0 (5)
O12^i—K1—K3—O15	125.06 (15)	S5—C21—C22—C23	51.9 (5)
K2—K1—K3—O15	39.43 (12)	K1^viii—O10—C23—O9	−106.5 (8)
K4^iii—K1—K3—O15	−170.11 (11)	K1^viii—O10—C23—C22	69.8 (9)
O13^i—K1—K3—O18	−96.02 (17)	K1^viii—O10—C23—K3^viii	−62.3 (6)
O10^ii—K1—K3—O18	99.89 (17)	K4—O9—C23—O10	137.1 (6)
O7—K1—K3—O18	−168.88 (16)	K3^viii—O9—C23—O10	50.7 (7)
O16—K1—K3—O18	136.0 (3)	K4—O9—C23—C22	−39.2 (11)
O1^ii—K1—K3—O18	21.81 (16)	K3^viii—O9—C23—C22	−125.6 (5)
O8—K1—K3—O18	−159.50 (19)	K4—O9—C23—K3^viii	86.4 (7)
O17—K1—K3—O18	−2.0 (2)	N5—C22—C23—O10	−157.7 (6)
O12^i—K1—K3—O18	−68.73 (16)	C21—C22—C23—O10	74.8 (7)
K2—K1—K3—O18	−154.36 (13)	N5—C22—C23—O9	19.0 (8)
K4^iii—K1—K3—O18	−3.90 (13)	C21—C22—C23—O9	−108.5 (7)
O13^i—K1—K3—O9^ii	155.20 (15)	N5—C22—C23—K3^viii	−57.8 (6)
O10^ii—K1—K3—O9^ii	−8.88 (14)	C21—C22—C23—K3^viii	174.7 (4)
O7—K1—K3—O9^ii	82.35 (13)	Au2—S6—C26—C29	73.8 (4)
O16—K1—K3—O9^ii	27.3 (3)	Au4—S6—C26—C29	165.5 (3)
O1^ii—K1—K3—O9^ii	−86.97 (13)	Au2—S6—C26—C30	−47.0 (4)
O8—K1—K3—O9^ii	91.73 (16)	Au4—S6—C26—C30	44.7 (5)
O17—K1—K3—O9^ii	−110.76 (19)	Au2—S6—C26—C27	−170.2 (3)
O12^i—K1—K3—O9^ii	−177.51 (14)	Au4—S6—C26—C27	−78.5 (4)
K2—K1—K3—O9^ii	96.86 (11)	C31—N6—C27—C26	−171.9 (6)
K4^iii—K1—K3—O9^ii	−112.68 (10)	C31—N6—C27—C28	67.2 (7)
O13^i—K1—K3—K4^ii	138.31 (13)	C29—C26—C27—N6	−178.8 (6)
O10^ii—K1—K3—K4^ii	−25.78 (12)	C30—C26—C27—N6	−53.3 (7)
O7—K1—K3—K4^ii	65.45 (12)	S6—C26—C27—N6	69.6 (6)
O16—K1—K3—K4^ii	10.4 (3)	C29—C26—C27—C28	−57.8 (7)
O1^ii—K1—K3—K4^ii	−103.86 (11)	C30—C26—C27—C28	67.6 (6)
O8—K1—K3—K4^ii	74.83 (14)	S6—C26—C27—C28	−169.5 (4)
O17—K1—K3—K4^ii	−127.65 (18)	K4^ii—O11—C28—O12	21 (2)
O12^i—K1—K3—K4^ii	165.60 (13)	K4^ii—O11—C28—C27	−158.8 (12)
K2—K1—K3—K4^ii	79.97 (9)	K4^ii—O11—C28—K1^vi	−42.4 (15)
K4^iii—K1—K3—K4^ii	−129.57 (7)	K1^vi—O12—C28—O11	−71.2 (6)
N1—Ni1—S1—C1	11.5 (2)	K1^vi—O12—C28—C27	109.0 (5)
S2—Ni1—S1—C1	−162.37 (19)	N6—C27—C28—O11	37.8 (7)
Au1—Ni1—S1—C1	105.2 (2)	C26—C27—C28—O11	−84.9 (7)
N1—Ni1—S1—Au1	−93.71 (15)	N6—C27—C28—O12	−142.4 (5)
S2—Ni1—S1—Au1	92.38 (5)	C26—C27—C28—O12	95.0 (6)
Ni1—Au1—S1—C1	−98.1 (2)	N6—C27—C28—K1^vi	−62.1 (5)
Au2—Au1—S1—C1	−175.8 (2)	C26—C27—C28—K1^vi	175.2 (4)
Au4—Au1—S1—C1	123.6 (2)	K1^vi—O13—C31—O14	104.3 (8)
Au3—Au1—S1—C1	86.6 (2)	K2^vi—O13—C31—O14	−35.0 (9)
Au2—Au1—S1—Ni1	−77.74 (4)	K1^vi—O13—C31—N6	−75.2 (10)
Au4—Au1—S1—Ni1	−138.30 (4)	K2^vi—O13—C31—N6	145.4 (5)
Au3—Au1—S1—Ni1	−175.28 (2)	K1^vi—O13—C31—K2^vi	139.3 (9)
N2—Ni1—S2—C6	9.9 (2)	C27—N6—C31—O13	−9.4 (10)
S1—Ni1—S2—C6	−162.25 (19)	C27—N6—C31—O14	171.0 (6)
Au1—Ni1—S2—C6	−108.93 (18)	C27—N6—C31—K2^vi	39.5 (11)
N2—Ni1—S2—Au2	120.77 (14)	O8—K3—O15—K4^ii	156.7 (2)
S1—Ni1—S2—Au2	−51.34 (7)	O17—K3—O15—K4^ii	112.8 (2)
Au1—Ni1—S2—Au2	1.98 (6)	O3^ii—K3—O15—K4^ii	−7.13 (14)
Au1—Au2—S2—C6	105.8 (2)	O24—K3—O15—K4^ii	−131.64 (15)
Au4—Au2—S2—C6	148.1 (2)	O18—K3—O15—K4^ii	−25.5 (4)
Au1—Au2—S2—Ni1	−1.85 (6)	O9^ii—K3—O15—K4^ii	54.46 (12)
Au4—Au2—S2—Ni1	40.44 (10)	O19^v—K3—O15—K4^ii	−59.84 (16)
N3—Ni2—S3—C11	20.5 (2)	K1—K3—O15—K4^ii	127.65 (11)
S4—Ni2—S3—C11	−155.85 (19)	O5^i—K2—O16—K1	138.82 (14)
Au4—Ni2—S3—C11	−109.42 (18)	O13^i—K2—O16—K1	40.09 (12)
N3—Ni2—S3—Au3	136.40 (14)	O4^iv—K2—O16—K1	−96.0 (2)
S4—Ni2—S3—Au3	−39.92 (7)	O7—K2—O16—K1	−38.62 (13)
Au4—Ni2—S3—Au3	6.51 (5)	O19—K2—O16—K1	−137.55 (15)
Au4—Au3—S3—C11	102.7 (2)	O13^i—K1—O16—K2	−41.66 (14)
Au1—Au3—S3—C11	149.0 (2)	O10^ii—K1—O16—K2	126.82 (14)
Au4—Au3—S3—Ni2	−6.72 (5)	O7—K1—O16—K2	39.39 (14)
Au1—Au3—S3—Ni2	39.52 (8)	O1^ii—K1—O16—K2	−146.13 (14)
N4—Ni2—S4—C16	2.4 (2)	O8—K1—O16—K2	51.35 (19)
S3—Ni2—S4—C16	−173.10 (18)	O17—K1—O16—K2	−161.9 (2)
Au4—Ni2—S4—C16	106.05 (18)	O12^i—K1—O16—K2	−44.6 (3)
N4—Ni2—S4—Au4	−103.64 (15)	K3—K1—O16—K2	96.4 (3)
S3—Ni2—S4—Au4	80.85 (6)	K4^iii—K1—O16—K2	−125.05 (11)
Au3—Au4—S4—C16	−174.97 (19)	O8—K3—O17—K1	−16.35 (16)
Ni2—Au4—S4—C16	−100.6 (2)	O3^ii—K3—O17—K1	133.32 (13)
Au1—Au4—S4—C16	123.89 (19)	O24—K3—O17—K1	−105.38 (16)
Au2—Au4—S4—C16	84.8 (2)	O15—K3—O17—K1	20.0 (3)
Au3—Au4—S4—Ni2	−74.39 (5)	O18—K3—O17—K1	177.9 (2)
Au1—Au4—S4—Ni2	−135.53 (5)	O9^ii—K3—O17—K1	67.89 (14)
Au2—Au4—S4—Ni2	−174.61 (3)	O19^v—K3—O17—K1	−169.68 (17)
Au4—Au3—S5—C21	148.83 (18)	K4^ii—K3—O17—K1	92.66 (17)
Au1—Au3—S5—C21	108.70 (19)	O13^i—K1—O17—K3	113.14 (16)
Au4—Au3—S5—Au1	40.13 (4)	O10^ii—K1—O17—K3	−59.82 (15)
Ni1—Au1—S5—C21	82.5 (2)	O7—K1—O17—K3	16.6 (2)
Au2—Au1—S5—C21	158.9 (2)	O16—K1—O17—K3	−136.8 (3)
Au4—Au1—S5—C21	−139.9 (2)	O1^ii—K1—O17—K3	−154.30 (18)
Au3—Au1—S5—C21	−101.7 (2)	O8—K1—O17—K3	14.98 (14)
Ni1—Au1—S5—Au3	−175.78 (2)	O12^i—K1—O17—K3	82.91 (18)
Au2—Au1—S5—Au3	−99.37 (4)	K2—K1—O17—K3	81.9 (3)
Au4—Au1—S5—Au3	−38.13 (4)	K4^iii—K1—O17—K3	177.7 (2)
Au1—Au2—S6—C26	150.21 (19)	O5^i—K2—O19—K3^xii	−74.0 (3)
Au4—Au2—S6—C26	110.0 (2)	O16—K2—O19—K3^xii	166.8 (3)
Au1—Au2—S6—Au4	40.21 (4)	O13^i—K2—O19—K3^xii	161.8 (2)
Au3—Au4—S6—C26	156.52 (19)	O4^iv—K2—O19—K3^xii	13.8 (2)
Ni2—Au4—S6—C26	81.5 (2)	O7—K2—O19—K3^xii	90.3 (3)
Au1—Au4—S6—C26	−142.04 (19)	K1—K2—O19—K3^xii	134.4 (2)
Au2—Au4—S6—C26	−103.65 (19)	O8—K3—O24—C32	88.2 (6)
Au3—Au4—S6—Au2	−99.82 (4)	O17—K3—O24—C32	−178.6 (6)
Ni2—Au4—S6—Au2	−174.81 (3)	O3^ii—K3—O24—C32	−70.2 (7)
Au1—Au4—S6—Au2	−38.39 (4)	O15—K3—O24—C32	34.2 (6)
O1^vi—K4—O3—C8	−37.9 (9)	O18—K3—O24—C32	−116.2 (6)
O6^vii—K4—O3—C8	30.5 (6)	O19^v—K3—O24—C32	−44.0 (6)
O15^viii—K4—O3—C8	−166.8 (5)	K4^ii—K3—O24—C32	−16.7 (7)
O9—K4—O3—C8	−102.8 (5)	K1—K3—O24—C32	135.0 (6)
O11^viii—K4—O3—C8	142.0 (5)	K3—O24—C32—C33	−161.0 (7)

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

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
N1—H1A···O10	0.92	2.04	2.825 (7)	143
N1—H1B···O6^x	0.92	2.10	3.013 (6)	172
N2—H2B···O9	0.92	2.06	2.960 (6)	167
N3—H3A···O18^xii	0.92	2.03	2.929 (8)	167
N3—H3B···O14	0.92	2.08	2.867 (6)	143
N4—H4A···O14	0.92	2.20	2.934 (6)	136
N4—H4B···O4^iv	0.92	2.13	3.004 (6)	157
N5—H5A···O20^viii	0.91	1.87	2.768 (7)	169
N5—H5B···O15^viii	0.91	2.09	2.979 (7)	164
N5—H5C···O2^vi	0.91	1.97	2.816 (6)	154
O15—H15A···O8	0.83 (3)	2.05 (3)	2.791 (6)	148 (6)
O15—H15B···O11	0.86 (4)	1.95 (3)	2.686 (7)	143 (6)
O16—H16A···O20^i	0.86 (4)	1.97 (4)	2.820 (7)	169 (8)
O16—H16B···O25	0.89 (4)	2.01 (4)	2.801 (10)	146 (6)
O17—H17A···O1^ii	1.02 (3)	2.64 (7)	3.187 (7)	113 (5)
O17—H17B···O12^i	0.82 (4)	2.06 (5)	2.751 (7)	142 (7)
O18—H18A···O22^v	0.86 (3)	1.98 (3)	2.773 (9)	153 (5)
O18—H18B···O23^v	0.93 (3)	2.08 (4)	2.958 (10)	156 (7)
O19—H19A···O3^iv	0.92 (4)	1.90 (4)	2.697 (8)	144 (7)
O19—H19B···O21^xii	0.95 (4)	1.89 (5)	2.799 (7)	161 (7)
O20—H20A···O14	0.80 (4)	1.89 (4)	2.662 (7)	165 (7)
O20—H20B···O23	0.85 (4)	1.90 (4)	2.734 (8)	167 (7)
O21—H21A···O5^xiii	0.97 (3)	1.89 (3)	2.791 (8)	154 (6)
O21—H21B···O11	0.83 (3)	1.97 (3)	2.763 (7)	160 (7)
O22—H22A···O7	0.82 (4)	2.07 (6)	2.817 (7)	151 (9)
O22—H22B···O19	0.83 (3)	1.96 (3)	2.766 (8)	163 (7)
O23—H23A···O24^xii	0.92 (4)	2.00 (4)	2.787 (9)	142 (6)
O23—H23B···O21^xiv	0.83 (4)	1.96 (7)	2.754 (9)	158 (8)
O24—H24···O12^i	0.83 (4)	2.00 (4)	2.778 (7)	154 (7)
O25—H25···O2^ii	0.90 (4)	1.99 (4)	2.792 (9)	149 (8)

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