Tris(tert-butyl isocyanide)bis­[tris­(4-methoxy­phen­yl)phosphine]cobalt(I) perchlorate dichloro­methane disolvate and tris­(tert-butyl isocyanide)bis­[tris­(4-methoxy­phenyl)phosphine]cobalt(II) bis­(perchlorate) dichloro­methane disolvate: modification of a trigonal-bipyramidal structure with change of metal oxidation state

The title complexes, [Co(C₅H₉N)₃(C₂₁H₂₁O₃P)₂]ClO₄·2CH₂Cl₂, (I), and [Co(C₅H₉N)₃(C₂₁H₂₁O₃P)₂](ClO₄)₂·2CH₂Cl₂, (II), respectively, crystallize in the hexa­gonal space group P6₃/m and the monoclinic space group P2₁/n, respectively. The cation of complex (I) has D_3h site symmetry around the Co atom and the overall symmetry is C_3h. Complex (II) is best described as having a distorted trigonal-bipyramidal coordination, with a Co site symmetry of C_s. Compounds (I) and (II) form an analogous pair of five-coordinate Co^I and Co^II complexes with the same ligands, making it possible to establish (i) if the Co site coordination for both complexes is indeed trigonal-bipyramidal, as initially assumed, and (ii) if significant structural differences occur when the oxidation state of the metal is changed.

S1. Comment

Numerous tris(alkylisocyanide)bis(triarylphosphine)cobalt (I) perchlorate complexes, [Co(CNR)₃(PR'₃)₂]ClO₄, have been reported in the literature (Becker et al.,1986, 1991, 1995). Many, but not all, of these Co^I complexes can be converted to the analogous five-coordinate Co^II complexes, [Co(CNR)₃(PR'₃)₂](ClO₄)₂, through oxidation with AgClO₄ (Becker, 2000). Routine characterization has been reported for these complexes, but structural determinations are lacking. Coordination structures for both the Co^I and Co^II complexes are expected to be trigonal– bipyramidal. IR data for ν(–N≡C), in solution and solid state, suggest that the Co^II complexes could have D_3h symmetry for the CNR ligands (i.e. one band), while the Co^I complexes may be distorted from idealized trigonal–bipyramidal coordination (i.e. two or three bands), but IR patterns are by no means conclusive for structural determination. There is disagreement in the literature over this assignment, however, particularly with respect to the interpretation of the quasi-reversible cyclic voltammograms (Hanzlik et al., 1980; Becker et al., 1995) which were later shown to be reversible (Ahmad et al., 2003).

A crystallographic investigation of these complexes seems merited for several reasons. Very few crystal structures are known for phosphine-substituted pentakis(organoisocyanide)cobalt(I) complexes, those few being with arylisocyanide, not alkylisocyanide, ligands, and, to our knowledge, no analogous structure for Co^II has been reported. Five-coordination for both Co^I and Co^II complexes with identical ligands poses several questions: (i) are both coordination structures trigonal–bipyramidal, as usually assumed, and if so, (ii) are there any significant differences in coordination structure? Is one structure closer to idealized D_3h Co site symmetry than the other, and if so, is it the Co^I or the Co^II complex? These questions can only be answered by a crystallographic study. [Co(CNCMe₃)₃{P(C₆H₄OMe-p)₃}₂]ClO₄, (I), and [Co(CNCMe₃)₃{P(C₆H₄OMe-p)₃}₂](ClO₄)₂, (II), have been selected as an appropriate pair of complexes for this study.

Complex (I) is observed to crystallize in the hexagonal space group P6₃/m with six effectively equivalent molecules but three crystallographically independent structures in the unit cell. Where there is significant differences in bond lengths and angles quoted, the three independent values and/or average have been given. The molecular structure is shown in Figs. 1 and 2, with selected bond lengths and bond angles listed in Table 1. The site symmetry around the Co atom is effectively D_3h (point group) symmetry. The entire Co(C≡ NC)₃ moiety is planar with three equivalent Co—C bonds and C—Co—C bond angles of 120.000 (10)°, three almost equivalent C≡N bonds with Co—C≡ N bond angles close to the idealized 180.0° [averaging 179.16 (1)°] and three almost equivalent N—C bonds again with C≡N—C bond angles approaching 180° [averaging 177.97 (1)°]. This gives an effective σ_h through the entire Co(CNC)₃ unit. The linear P—Co—P bonds are perpendicular to the CoC₃ plane, forming the threefold rotation axis. Through the proper alignment of both the nine –CMe₃ and six –C₆H₄OMe-p groups, the P1—Co1—P1 axis is also a crystallographic threefold rotation axis. The upper and lower P(C₆H₄OMe-p)₃ rings are exactly eclipsed but are not properly 60° staggered (rather 43.8, 76.2° asymmetrically staggered) between the Co—C≡N bonds, preventing three σ_vs, and reducing the (point group) symmetry for the [Co(CNCMe₃)₃{P(C₆H₄OMe-p)₃}₂]⁺ cation overall to C_3h. This is, nevertheless, still a very symmetrical ion.

The Co—P bond averaging 2.1783 (6) Å is shorter than that which is normally expected for a Co—P single bond [Cambridge Structural Database (CSD), Conquest 1.11, Allen, 2002], giving support for some degree of dπ→π* back-bonding, although less than the very short Co—P bond [i.e. 2.052 (5) Å] observed in HCo(PF₃)₄ (Frenz & Ibers, 1970). The averaged Co—C bond [1.826 (6) Å] is also quite short, supportive of the more extensive back-bonding expected to the organoisocyanide ligands. The perchlorate ion shows some distortion, with an average Cl—O bond length 1.416 (4) Å and average O—Cl—O bond angle 108.67 (5)°. There is no evidence for hydrogen bonding with either the ClO₄^- anion or the CH₂Cl₂ molecule.

Complex (II) is observed to crystallize in the monoclinic space group P2₁/n. The molecular structure is shown in Figs. 3 and 4, with selected bond lengths and bond angles listed in Table 2. The cation is best described as distorted trigonal–bipyramidal. The actual site symmetry around the Co atom is low, i.e. C_s. The CoC₃ moiety appears to be approximately planar, in which case highest site symmetry is C_s, otherwise it is only C₁. Three nonequivalent Co—C bonds form equatorial bond angles of 107.96 (11), 109.76 (10) and 142.27 (11)°, instead of the idealized 120.0°. The Co—C≡N bond angles [averaging 174.3 (2)°] and C≡N—C angles [averaging 177.5 (9)°], however, are reasonably close to linear. The C≡N bond lengths and N—C bond lengths appear normal for these bonds.

In structure (II) the averaged Co—P bond length of 2.2526 (7) Å is also rather short for a Co—P single bond, though not as shortened as seen for (I). Although the ionic radius for Co^II is smaller than Co^I, the Co²⁺ ion requires far less dπ→ π* electronic stabilization so the Co—P bond in (II) could be expected to be longer than in (I). The Co—C bond length is also shorter in (I) compared to (II), i.e. 1.826 (6) versus 1.888 (2) Å (averaged), while the C≡N bond lengths show slight increase [i.e. 1.159 (5) versus 1.145 (9) Å (averaged)] as would also be expected. A general insensitivity of the C≡N bond length to apparent bond order, however, has been observed (Cotton et al., 1965). The two perchlorate anions are nonequivalent and somewhat distorted. The averaged Cl—O bond length is 1.394 (8) Å in one, 1.406 (3) Å, in the other, but the averaged O—Cl—O bond angles are 109.4 (9) and 109.4 (8)°, respectively. Again there is no evidence for hydrogen bonding with either the ClO₄^- anions or the CH₂Cl₂ molecules in (II) as well as in (I). This may explain why the solvated CH₂Cl₂ is normally so readily lost shortly after preparation of these complexes.

In this pair of complexes, then, the IR data notwithstanding, the five-coordinate Co^I complex, (I), has been shown to have rigorous trigonal–bipyramidal Co coordination (D_3h) while the analogous five-coordinate Co^II complex, (II), has distorted trigonal–bipyramidal coordination (C_s). Two disubstituted arylisocyanide Co^I complexes from the literature show similarity with (I): [Co(CNC₆H₄NO₂-p)₃{PhP(OEt)₂}₂]ClO₄ (III) (Graziani et al., 1976), and [Co(CNC₆H₄F-p)₃{P(OCH₃)₃}₂]BF₄ (IV) (Loghry et al., 1978). Structural comparisons with these complexes are shown in Table 3. Although (III) and (IV) are clearly trigonal–bipyramidal structures, they do not exhibit the high level of coordination symmetry around the Co atom shown by (I). No analogous structures for disubstituted five-coordinate Co^II organoisocyanide complexes could be found in the literature.

Related literature

For related literature, see: Ahmad et al. (2003); Becker (2000); Becker & Barqawi (1995); Becker et al. (1986, 1991); Frenz & Ibers (1970); Graziani et al. (1976); Hanzlik et al. (1980); Loghry & Simonsen (1978).

S2. Experimental

Complexes (I) and (II) have been synthesized, and routinely characterized, as previously reported: (I) by reaction of excess triarylphosphine with [Co(CNCMe₃)₄H₂O](ClO₄)₂ (Becker et al., 1986) and (II) by AgClO₄ oxidation of (I) (Becker, 2000). X-ray quality crystals of (I), as the solvate [Co(CNCMe₃)₃{P(C₆H₄OMe-p)₃}₂]ClO₄.2CH₂Cl₂, were obtained by slow evaporation of CH₂Cl₂/C₆H₁₂ solution at room temperature and the crystals of (II), also as a dichloromethane solvate [Co(CNCMe₃)₃{P(C₆H₄OMe-p)₃}₂](ClO₄)₂.2.08CH₂Cl₂, were obtained by diffusion of C₆H₁₂ into CH₂Cl₂ solution at room temperature.

S3. Refinement

For both compounds, all H atoms were refined using a riding model, with a C—H distance of 0.98Å and with U_iso(H) = 1.5U_eq(C). The highest residual peak for (I) was 1.614Å from atom Cl1 and for (II) was 0.900Å from atom C36. The methyl disorder of compound (I) seen on C31 was apparent in the structure, hence atoms C32A/C34A and atoms C32B/C33A where refined with complementary occupancies. The orientational disorder was refined over two positions using an EADP restraint (SHELXTL; Sheldrick, 2008); the final occupancy was 0.545 (5) for C32A/C34A and 0.454 (5) for C32B/C33A. The apparent solvent disorder in structure (II) was seen on dichloromethane atoms C58/C58A, and hence atoms Cl3A/Cl4A and Cl3B/Cl4B were refined with complementary occupancies. The orientational disorder was refined over two positions using bond length (DFIX) restraints [1.73 (2)Å] for the C—Cl bond lengths as well as EADP restraints for C58/C58A (SHELXTL; Sheldrick, 2008); the final occupancy was 0.489 (8) for Cl3A/Cl4A and 0.511 (8) for Cl3B/Cl4B. For satisfactory convergence it was also necessary to fix the coordinates of atoms C58, C58A, Cl4A and Cl4B during refinement. The further solvent disorder seen on C59 and C60A–D with its respective Cl atoms were refined with occupancies having been refined as a restrained linear sum of the free variables. These partial molecules have a sum of occupancies of 1.08 (CH₂Cl₂) (using a SUMP restraint), hence giving rise to discrepancies in the reported molecular weight and densities of the crystal.

Computing details

For both compounds, data collection: APEX2 (Bruker, 2005); cell refinement: SAINT-NT (Bruker, 2005); data reduction: SAINT-NT (Bruker, 2005); program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997) and DIAMOND (Brandenburg, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999) and PLATON (Spek, 2009).

Figures

	Fig. 1. A view of (I) (30% probability displacement ellipsoids). H atoms and disorder omitted for clarity.
	Fig. 2. A packing diagram for (I). Solvent and H atoms omitted for clarity
	Fig. 3. A view of (II) (30% probability displacement ellipsoids). H atoms and disorder omitted for clarity.
	Fig. 4. A packing diagram for (II). Solvent and H atoms omitted for clarity

(I) Tris(tert-butyl isocyanide)bis[tris(4-methoxyphenyl)phosphine]cobalt(I) perchlorate dichloromethane disolvate

Crystal data

[Co(C5H9N)3(C21H21O3P)2]ClO4·2(CH2Cl2)	Dx = 1.332 Mg m^−3
Mr = 1282.32	Mo Kα radiation, λ = 0.71073 Å
Hexagonal, P63/m	Cell parameters from 7171 reflections
Hall symbol: -P 6c	θ = 2.6–28.3°
a = 21.7568 (3) Å	µ = 0.58 mm^−1
c = 23.3983 (6) Å	T = 173 K
V = 9591.9 (3) Å^3	Hexagonal, yellow
Z = 6	0.38 × 0.38 × 0.1 mm
F(000) = 4020

Data collection

CCD area detector diffractometer	4167 reflections with I > 2σ(I)
φ and ω scans	Rint = 0.058
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	θmax = 26.0°, θmin = 1.1°
Tmin = 0.809, Tmax = 0.944	h = −25→24
46534 measured reflections	k = −26→26
6456 independent reflections	l = −27→28

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	H-atom parameters constrained
R[F^2 > 2σ(F^2)] = 0.047	w = 1/[σ^2(Fo^2) + (0.0695P)^2 + 16.3243P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.152	(Δ/σ)max = 0.001
S = 0.97	Δρmax = 1.07 e Å^−3
6456 reflections	Δρmin = −0.58 e Å^−3
390 parameters

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.

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
C1	0.57951 (16)	0.28994 (16)	0.62264 (12)	0.0221 (6)
C2	0.52705 (17)	0.30234 (17)	0.64370 (14)	0.0275 (7)
H2	0.5358	0.3295	0.6776	0.033*
C3	0.46170 (18)	0.27565 (18)	0.61607 (14)	0.0310 (7)
H3	0.4267	0.2855	0.6304	0.037*
C4	0.44879 (17)	0.23489 (17)	0.56771 (14)	0.0298 (8)
C5	0.49963 (18)	0.21963 (19)	0.54749 (15)	0.0334 (8)
H5	0.4897	0.1899	0.515	0.04*
C6	0.56455 (17)	0.24743 (17)	0.57442 (13)	0.0280 (7)
H6	0.5994	0.2374	0.5599	0.034*
O1	0.38749 (13)	0.20628 (14)	0.53635 (11)	0.0432 (7)
C7	0.3371 (2)	0.2278 (2)	0.55046 (17)	0.0472 (10)
H7A	0.3211	0.2142	0.59	0.071*
H7B	0.2963	0.2046	0.5246	0.071*
H7C	0.3594	0.2794	0.5465	0.071*
C8	0.7582 (2)	0.3524 (2)	0.75	0.0211 (9)
N1	0.8165 (2)	0.3648 (2)	0.75	0.0304 (9)
C9	0.8899 (2)	0.3808 (3)	0.75	0.0289 (10)
C10	0.9359 (3)	0.4616 (3)	0.75	0.0457 (14)
H10A	0.9188	0.4815	0.7205	0.069*	0.5
H10B	0.9853	0.4751	0.742	0.069*	0.5
H10C	0.9331	0.4801	0.7875	0.069*	0.5
C11	0.9005 (2)	0.3484 (2)	0.69623 (16)	0.0439 (10)
H11A	0.8695	0.2968	0.6974	0.066*
H11B	0.9501	0.36	0.6938	0.066*
H11C	0.8887	0.3676	0.6627	0.066*
P1	0.6667	0.3333	0.65677 (5)	0.0182 (3)
Co1	0.6667	0.3333	0.75	0.0175 (2)
C12	0.06759 (15)	0.08358 (15)	0.62508 (12)	0.0194 (6)
C13	0.09576 (16)	0.08764 (17)	0.57080 (13)	0.0255 (7)
H13	0.0804	0.0455	0.5492	0.031*
C14	0.14572 (17)	0.15222 (18)	0.54803 (13)	0.0279 (7)
H14	0.1638	0.1543	0.5107	0.033*
C15	0.16947 (17)	0.21403 (17)	0.57956 (14)	0.0263 (7)
C16	0.14373 (17)	0.21131 (17)	0.63387 (14)	0.0275 (7)
H16	0.1605	0.2533	0.656	0.033*
C17	0.09276 (17)	0.14608 (16)	0.65579 (13)	0.0239 (7)
H17	0.0746	0.1443	0.693	0.029*
O2	0.21914 (13)	0.27510 (12)	0.55329 (10)	0.0358 (6)
C18	0.2456 (2)	0.33995 (19)	0.58458 (17)	0.0448 (10)
H18A	0.2065	0.3486	0.5931	0.067*
H18B	0.2815	0.3793	0.5617	0.067*
H18C	0.267	0.3364	0.6204	0.067*
C19	−0.0561 (2)	−0.0970 (2)	0.75	0.0200 (9)
N2	−0.0908 (2)	−0.1582 (2)	0.75	0.0259 (8)
C20	−0.1388 (2)	−0.2345 (2)	0.75	0.0286 (10)
C21	−0.2137 (3)	−0.2461 (3)	0.75	0.0411 (13)
H21A	−0.2176	−0.2158	0.7792	0.062*	0.5
H21B	−0.2475	−0.296	0.7585	0.062*	0.5
H21C	−0.2243	−0.2339	0.7124	0.062*	0.5
C22	−0.1240 (2)	−0.2645 (2)	0.69642 (16)	0.0420 (9)
H22A	−0.1313	−0.2424	0.6626	0.063*
H22B	−0.1564	−0.3159	0.695	0.063*
H22C	−0.0749	−0.2546	0.6972	0.063*
P2	0	0	0.65699 (5)	0.0164 (3)
Co2	0	0	0.75	0.0161 (2)
C23	0.37638 (16)	0.62157 (16)	0.62489 (12)	0.0227 (7)
C24	0.36941 (17)	0.56103 (17)	0.65066 (14)	0.0277 (7)
H24	0.3424	0.5442	0.6848	0.033*
C25	0.40075 (18)	0.52423 (18)	0.62799 (14)	0.0297 (7)
H25	0.3952	0.4828	0.6463	0.036*
C26	0.44008 (18)	0.54894 (18)	0.57828 (14)	0.0301 (8)
C27	0.4482 (2)	0.6098 (2)	0.55204 (14)	0.0359 (8)
H27	0.4755	0.6268	0.5181	0.043*
C28	0.41658 (18)	0.64566 (18)	0.57524 (14)	0.0300 (7)
H28	0.4224	0.6873	0.557	0.036*
O3	0.47361 (15)	0.51787 (14)	0.55222 (10)	0.0417 (6)
C29	0.4710 (2)	0.4579 (2)	0.57982 (17)	0.0443 (10)
H29A	0.4892	0.4708	0.6189	0.066*
H29B	0.5003	0.4431	0.5585	0.066*
H29C	0.4219	0.4187	0.5809	0.066*
C30	0.3115 (2)	0.7374 (2)	0.75	0.0221 (9)
C31	0.2790 (3)	0.8378 (3)	0.75	0.0531 (10)
C32A	0.2012 (6)	0.8071 (6)	0.75	0.0531 (10)	0.544 (5)
H32A	0.181	0.7775	0.7159	0.08*	0.272 (3)
H32B	0.1899	0.8454	0.7497	0.08*	0.544 (5)
H32C	0.181	0.778	0.7843	0.08*	0.272 (3)
C34A	0.3141 (4)	0.8853 (4)	0.6974 (4)	0.0531 (10)	0.544 (5)
H34A	0.3651	0.902	0.6977	0.08*	0.544 (5)
H34B	0.3067	0.9261	0.6987	0.08*	0.544 (5)
H34C	0.2928	0.858	0.6625	0.08*	0.544 (5)
C33A	0.2323 (5)	0.8255 (5)	0.6979 (4)	0.0531 (10)	0.456 (5)
H33A	0.2602	0.8333	0.6631	0.08*	0.456 (5)
H33B	0.2141	0.8586	0.6988	0.08*	0.456 (5)
H33C	0.1924	0.7767	0.6984	0.08*	0.456 (5)
C32B	0.3453 (7)	0.9029 (7)	0.75	0.0531 (10)	0.456 (5)
H32D	0.3714	0.9062	0.7149	0.08*	0.228 (3)
H32E	0.3733	0.9043	0.7833	0.08*	0.228 (3)
H32F	0.3365	0.9429	0.7518	0.08*	0.456 (5)
N3	0.2961 (2)	0.7814 (2)	0.75	0.0307 (9)
P3	0.3333	0.6667	0.65694 (5)	0.0186 (3)
Co3	0.3333	0.6667	0.75	0.0178 (2)
C35	0.2752 (2)	0.3176 (2)	0.42498 (17)	0.0466 (10)
H35A	0.2622	0.3383	0.3927	0.056*
H35B	0.246	0.3151	0.4583	0.056*
Cl2	0.25520 (7)	0.23061 (6)	0.40648 (4)	0.0574 (3)
Cl3	0.36438 (6)	0.37316 (7)	0.44143 (5)	0.0644 (3)
Cl1	0.00736 (8)	0.65908 (7)	0.75	0.0453 (4)
O4	0.0645 (3)	0.6441 (3)	0.75	0.0901 (18)
O5	0.0351 (2)	0.7339 (2)	0.75	0.0631 (12)
O6	−0.0306 (3)	0.6302 (2)	0.69993 (19)	0.1110 (17)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C1	0.0243 (16)	0.0231 (16)	0.0173 (15)	0.0107 (13)	−0.0006 (12)	0.0031 (12)
C2	0.0286 (17)	0.0302 (18)	0.0240 (16)	0.0148 (15)	−0.0021 (14)	−0.0036 (14)
C3	0.0269 (17)	0.0345 (19)	0.0336 (18)	0.0169 (15)	−0.0009 (14)	0.0016 (15)
C4	0.0243 (17)	0.0277 (17)	0.0308 (18)	0.0079 (14)	−0.0043 (14)	0.0052 (14)
C5	0.0341 (19)	0.0339 (19)	0.0277 (18)	0.0138 (16)	−0.0085 (15)	−0.0087 (15)
C6	0.0280 (17)	0.0324 (18)	0.0231 (16)	0.0147 (15)	−0.0005 (14)	−0.0033 (14)
O1	0.0312 (14)	0.0484 (16)	0.0458 (15)	0.0167 (12)	−0.0178 (12)	−0.0082 (13)
C7	0.031 (2)	0.061 (3)	0.048 (2)	0.022 (2)	−0.0100 (18)	0.010 (2)
C8	0.025 (2)	0.024 (2)	0.014 (2)	0.0119 (19)	0	0
N1	0.028 (2)	0.044 (2)	0.024 (2)	0.022 (2)	0	0
C9	0.020 (2)	0.038 (3)	0.032 (3)	0.017 (2)	0	0
C10	0.042 (3)	0.038 (3)	0.051 (3)	0.015 (3)	0	0
C11	0.035 (2)	0.059 (3)	0.043 (2)	0.027 (2)	0.0016 (17)	−0.0089 (19)
P1	0.0197 (4)	0.0197 (4)	0.0153 (6)	0.0098 (2)	0	0
Co1	0.0196 (3)	0.0196 (3)	0.0135 (5)	0.00978 (16)	0	0
C12	0.0201 (15)	0.0214 (15)	0.0166 (14)	0.0103 (13)	−0.0009 (12)	0.0028 (12)
C13	0.0263 (16)	0.0271 (17)	0.0199 (15)	0.0111 (14)	0.0005 (13)	−0.0014 (13)
C14	0.0257 (17)	0.0334 (18)	0.0174 (15)	0.0094 (15)	0.0045 (13)	0.0019 (14)
C15	0.0240 (16)	0.0263 (17)	0.0250 (16)	0.0100 (14)	0.0007 (13)	0.0078 (13)
C16	0.0296 (17)	0.0212 (16)	0.0283 (17)	0.0101 (14)	−0.0017 (14)	−0.0006 (13)
C17	0.0297 (17)	0.0240 (16)	0.0189 (15)	0.0141 (14)	0.0047 (13)	0.0026 (13)
O2	0.0367 (14)	0.0255 (12)	0.0316 (13)	0.0053 (11)	0.0078 (11)	0.0060 (10)
C18	0.049 (2)	0.0244 (19)	0.042 (2)	0.0040 (17)	0.0051 (18)	0.0067 (16)
C19	0.024 (2)	0.028 (3)	0.0110 (19)	0.015 (2)	0	0
N2	0.030 (2)	0.023 (2)	0.0210 (19)	0.0103 (18)	0	0
C20	0.027 (2)	0.020 (2)	0.033 (3)	0.007 (2)	0	0
C21	0.029 (3)	0.037 (3)	0.047 (3)	0.009 (2)	0	0
C22	0.045 (2)	0.035 (2)	0.042 (2)	0.0170 (18)	−0.0009 (17)	−0.0116 (17)
P2	0.0193 (4)	0.0193 (4)	0.0107 (6)	0.0097 (2)	0	0
Co2	0.0190 (3)	0.0190 (3)	0.0102 (4)	0.00950 (16)	0	0
C23	0.0243 (16)	0.0275 (17)	0.0187 (15)	0.0147 (14)	−0.0010 (12)	−0.0026 (13)
C24	0.0294 (17)	0.0282 (17)	0.0248 (16)	0.0139 (15)	0.0088 (14)	0.0039 (14)
C25	0.0360 (19)	0.0276 (17)	0.0278 (18)	0.0178 (15)	0.0047 (15)	0.0014 (14)
C26	0.0361 (19)	0.0344 (19)	0.0252 (17)	0.0216 (16)	0.0024 (15)	−0.0046 (14)
C27	0.046 (2)	0.047 (2)	0.0228 (17)	0.0295 (19)	0.0154 (15)	0.0067 (15)
C28	0.041 (2)	0.0327 (18)	0.0230 (17)	0.0232 (16)	0.0044 (15)	0.0022 (14)
O3	0.0588 (17)	0.0491 (16)	0.0345 (14)	0.0401 (14)	0.0144 (12)	0.0033 (12)
C29	0.061 (3)	0.051 (2)	0.041 (2)	0.042 (2)	0.0080 (19)	0.0021 (19)
C30	0.024 (2)	0.027 (2)	0.014 (2)	0.012 (2)	0	0
C31	0.058 (2)	0.042 (2)	0.071 (3)	0.034 (2)	0	0
C32A	0.058 (2)	0.042 (2)	0.071 (3)	0.034 (2)	0	0
C34A	0.058 (2)	0.042 (2)	0.071 (3)	0.034 (2)	0	0
C33A	0.058 (2)	0.042 (2)	0.071 (3)	0.034 (2)	0	0
C32B	0.058 (2)	0.042 (2)	0.071 (3)	0.034 (2)	0	0
N3	0.040 (2)	0.030 (2)	0.028 (2)	0.022 (2)	0	0
P3	0.0206 (4)	0.0206 (4)	0.0147 (6)	0.0103 (2)	0	0
Co3	0.0197 (3)	0.0197 (3)	0.0139 (5)	0.00985 (16)	0	0
C35	0.057 (3)	0.050 (2)	0.036 (2)	0.030 (2)	0.0070 (19)	0.0071 (18)
Cl2	0.0823 (8)	0.0566 (7)	0.0363 (5)	0.0369 (6)	−0.0018 (5)	−0.0034 (5)
Cl3	0.0580 (7)	0.0611 (7)	0.0575 (7)	0.0173 (6)	−0.0048 (5)	0.0179 (6)
Cl1	0.0661 (9)	0.0437 (8)	0.0333 (7)	0.0329 (7)	0	0
O4	0.112 (5)	0.092 (4)	0.107 (4)	0.081 (4)	0	0
O5	0.069 (3)	0.039 (2)	0.085 (3)	0.030 (2)	0	0
O6	0.156 (4)	0.082 (3)	0.100 (3)	0.063 (3)	−0.074 (3)	−0.032 (2)

Geometric parameters (Å, º)

Co1—C8^i	1.820 (4)	C20—C22	1.521 (4)
Co2—C19^ii	1.834 (4)	C20—C22^iv	1.521 (4)
Co3—C30^iii	1.824 (5)	C21—H21A	0.98
P1—Co1	2.1814 (13)	C21—H21B	0.98
P2—Co2	2.1762 (12)	C21—H21C	0.98
P3—Co3	2.1774 (13)	C22—H22A	0.98
C8—N1	1.157 (6)	C22—H22B	0.98
C19—N2	1.158 (6)	C22—H22C	0.98
C30—N3	1.162 (6)	P2—C12^vi	1.831 (3)
N1—C9	1.455 (6)	P2—C12^ii	1.831 (3)
N2—C20	1.453 (6)	Co2—C19^ii	1.834 (4)
N3—C31	1.449 (7)	Co2—C19^vi	1.834 (4)
C1—C2	1.388 (4)	Co2—P2^iv	2.1762 (12)
C1—C6	1.390 (4)	C23—C24	1.386 (4)
C1—P1	1.826 (3)	C23—C28	1.389 (4)
C2—C3	1.397 (5)	C23—P3	1.822 (3)
C2—H2	0.95	C24—C25	1.390 (4)
C3—C4	1.377 (5)	C24—H24	0.95
C3—H3	0.95	C25—C26	1.384 (5)
C4—O1	1.369 (4)	C25—H25	0.95
C4—C5	1.387 (5)	C26—O3	1.362 (4)
C5—C6	1.380 (5)	C26—C27	1.388 (5)
C5—H5	0.95	C27—C28	1.384 (5)
C6—H6	0.95	C27—H27	0.95
O1—C7	1.429 (5)	C28—H28	0.95
C7—H7A	0.98	O3—C29	1.432 (4)
C7—H7B	0.98	C29—H29A	0.98
C7—H7C	0.98	C29—H29B	0.98
C8—Co1	1.820 (4)	C29—H29C	0.98
C9—C11	1.515 (4)	C30—Co3	1.824 (5)
C9—C11^iv	1.515 (4)	C31—C32B	1.429 (15)
C9—C10	1.527 (7)	C31—C32A	1.478 (13)
C10—H10A	0.98	C31—C33A^iv	1.523 (10)
C10—H10B	0.98	C31—C33A	1.523 (10)
C10—H10C	0.98	C31—C34A^iv	1.541 (9)
C11—H11A	0.98	C31—C34A	1.541 (9)
C11—H11B	0.98	C32A—H32A	0.98
C11—H11C	0.98	C32A—H32B	0.98
P1—C1^v	1.826 (3)	C32A—H32C	0.98
P1—C1^i	1.826 (3)	C34A—H34A	0.98
Co1—C8^v	1.820 (4)	C34A—H34B	0.98
Co1—P1^iv	2.1814 (13)	C34A—H34C	0.98
C12—C17	1.386 (4)	C33A—H33A	0.98
C12—C13	1.394 (4)	C33A—H33B	0.98
C12—P2	1.831 (3)	C33A—H33C	0.98
C13—C14	1.383 (4)	C32B—H32D	0.98
C13—H13	0.95	C32B—H32E	0.98
C14—C15	1.388 (5)	C32B—H32F	0.98
C14—H14	0.95	P3—C23^vii	1.822 (3)
C15—O2	1.369 (4)	P3—C23^iii	1.822 (3)
C15—C16	1.378 (5)	Co3—C30^vii	1.824 (5)
C16—C17	1.390 (4)	Co3—P3^iv	2.1774 (13)
C16—H16	0.95	C35—Cl3	1.741 (4)
C17—H17	0.95	C35—Cl2	1.772 (4)
O2—C18	1.430 (4)	C35—H35A	0.99
C18—H18A	0.98	C35—H35B	0.99
C18—H18B	0.98	Cl1—O6^iv	1.389 (4)
C18—H18C	0.98	Cl1—O4	1.434 (5)
C19—Co2	1.834 (4)	Cl1—O5	1.426 (4)
C20—C21	1.518 (7)	Cl1—O6	1.389 (4)
N1—C8—Co1	179.7 (4)	H22A—C22—H22C	109.5
N2—C19—Co2	179.2 (4)	H22B—C22—H22C	109.5
N3—C30—Co3	178.6 (4)	C12^vi—P2—C12	104.51 (11)
C8—N1—C9	179.7 (5)	C12^vi—P2—C12^ii	104.51 (11)
C19—N2—C20	175.8 (4)	C12—P2—C12^ii	104.51 (11)
C30—N3—C31	178.4 (5)	C12^vi—P2—Co2	114.06 (9)
C8—Co1—C8^i	120.0000 (10)	C12—P2—Co2	114.06 (9)
C8—Co1—C8^v	120.000 (2)	C12^ii—P2—Co2	114.06 (9)
C19^ii—Co2—C19	120.0000 (10)	C19^ii—Co2—C19^vi	120.0000 (10)
C30—Co3—C30^iii	120.0000 (10)	C19—Co2—C19^vi	120
P1^iv—Co1—P1	180.0000 (10)	C19^ii—Co2—P2	90
P2—Co2—P2^iv	180	C19—Co2—P2	90
P3^iv—Co3—P3	180	C19^vi—Co2—P2	90
C2—C1—C6	118.4 (3)	C19^ii—Co2—P2^iv	90
C2—C1—P1	119.1 (2)	C19—Co2—P2^iv	90
C6—C1—P1	122.4 (2)	C19^vi—Co2—P2^iv	90
C1—C2—C3	121.3 (3)	C24—C23—C28	118.1 (3)
C1—C2—H2	119.3	C24—C23—P3	119.4 (2)
C3—C2—H2	119.3	C28—C23—P3	122.5 (2)
C4—C3—C2	119.0 (3)	C23—C24—C25	121.9 (3)
C4—C3—H3	120.5	C23—C24—H24	119
C2—C3—H3	120.5	C25—C24—H24	119
O1—C4—C3	124.9 (3)	C26—C25—C24	118.9 (3)
O1—C4—C5	114.9 (3)	C26—C25—H25	120.6
C3—C4—C5	120.3 (3)	C24—C25—H25	120.6
C6—C5—C4	120.2 (3)	O3—C26—C25	124.3 (3)
C6—C5—H5	119.9	O3—C26—C27	115.6 (3)
C4—C5—H5	119.9	C25—C26—C27	120.1 (3)
C5—C6—C1	120.7 (3)	C28—C27—C26	120.2 (3)
C5—C6—H6	119.7	C28—C27—H27	119.9
C1—C6—H6	119.7	C26—C27—H27	119.9
C4—O1—C7	117.3 (3)	C27—C28—C23	120.8 (3)
O1—C7—H7A	109.5	C27—C28—H28	119.6
O1—C7—H7B	109.5	C23—C28—H28	119.6
H7A—C7—H7B	109.5	C26—O3—C29	117.7 (3)
O1—C7—H7C	109.5	O3—C29—H29A	109.5
H7A—C7—H7C	109.5	O3—C29—H29B	109.5
H7B—C7—H7C	109.5	H29A—C29—H29B	109.5
N1—C9—C11	107.0 (3)	O3—C29—H29C	109.5
N1—C9—C11^iv	107.0 (3)	H29A—C29—H29C	109.5
C11—C9—C11^iv	112.3 (4)	H29B—C29—H29C	109.5
N1—C9—C10	106.6 (4)	N3—C31—C32B	106.3 (7)
C11—C9—C10	111.8 (3)	N3—C31—C32A	109.8 (6)
C11^iv—C9—C10	111.8 (3)	C32B—C31—C32A	143.9 (8)
C9—C10—H10A	109.5	N3—C31—C33A^iv	106.4 (4)
C9—C10—H10B	109.5	C32B—C31—C33A^iv	115.3 (5)
H10A—C10—H10B	109.5	C32A—C31—C33A^iv	53.6 (4)
C9—C10—H10C	109.5	N3—C31—C33A	106.4 (4)
H10A—C10—H10C	109.5	C32B—C31—C33A	115.3 (5)
H10B—C10—H10C	109.5	C32A—C31—C33A	53.6 (4)
C9—C11—H11A	109.5	C33A^iv—C31—C33A	106.3 (9)
C9—C11—H11B	109.5	N3—C31—C34A^iv	108.5 (4)
H11A—C11—H11B	109.5	C32B—C31—C34A^iv	54.5 (4)
C9—C11—H11C	109.5	C32A—C31—C34A^iv	112.0 (5)
H11A—C11—H11C	109.5	C33A^iv—C31—C34A^iv	62.8 (5)
H11B—C11—H11C	109.5	C33A—C31—C34A^iv	145.1 (6)
C1^v—P1—C1^i	102.31 (12)	N3—C31—C34A	108.5 (4)
C1^v—P1—C1	102.31 (12)	C32B—C31—C34A	54.5 (4)
C1^i—P1—C1	102.31 (12)	C32A—C31—C34A	112.0 (5)
C1^v—P1—Co1	115.93 (10)	C33A^iv—C31—C34A	145.1 (6)
C1^i—P1—Co1	115.93 (10)	C33A—C31—C34A	62.8 (5)
C1—P1—Co1	115.93 (10)	C34A^iv—C31—C34A	105.9 (7)
C8^i—Co1—C8^v	120.000 (2)	C31—C32A—H32A	109.5
C8—Co1—P1^iv	90	C31—C32A—H32B	109.5
C8^i—Co1—P1^iv	90	H32A—C32A—H32B	109.5
C8^v—Co1—P1^iv	90	C31—C32A—H32C	109.5
C8—Co1—P1	90	H32A—C32A—H32C	109.5
C8^i—Co1—P1	90	H32B—C32A—H32C	109.5
C8^v—Co1—P1	90	C31—C34A—H34A	109.5
C17—C12—C13	117.7 (3)	C31—C34A—H34B	109.5
C17—C12—P2	119.4 (2)	H34A—C34A—H34B	109.5
C13—C12—P2	122.9 (2)	C31—C34A—H34C	109.5
C14—C13—C12	120.9 (3)	H34A—C34A—H34C	109.5
C14—C13—H13	119.6	H34B—C34A—H34C	109.5
C12—C13—H13	119.6	C31—C33A—H33A	109.5
C13—C14—C15	120.2 (3)	C31—C33A—H33B	109.5
C13—C14—H14	119.9	C31—C33A—H33C	109.5
C15—C14—H14	119.9	C31—C32B—H32D	109.5
O2—C15—C16	124.2 (3)	C31—C32B—H32E	109.5
O2—C15—C14	115.6 (3)	H32D—C32B—H32E	109.5
C16—C15—C14	120.2 (3)	C31—C32B—H32F	109.5
C15—C16—C17	118.9 (3)	H32D—C32B—H32F	109.5
C15—C16—H16	120.5	H32E—C32B—H32F	109.5
C17—C16—H16	120.5	C23^vii—P3—C23^iii	104.24 (11)
C12—C17—C16	122.2 (3)	C23^vii—P3—C23	104.24 (12)
C12—C17—H17	118.9	C23^iii—P3—C23	104.24 (12)
C16—C17—H17	118.9	C23^vii—P3—Co3	114.30 (10)
C15—O2—C18	117.4 (3)	C23^iii—P3—Co3	114.30 (10)
O2—C18—H18A	109.5	C23—P3—Co3	114.30 (10)
O2—C18—H18B	109.5	C30—Co3—C30^vii	120.0000 (10)
H18A—C18—H18B	109.5	C30^iii—Co3—C30^vii	120.0000 (10)
O2—C18—H18C	109.5	C30—Co3—P3^iv	90
H18A—C18—H18C	109.5	C30^iii—Co3—P3^iv	90
H18B—C18—H18C	109.5	C30^vii—Co3—P3^iv	90
N2—C20—C21	106.8 (4)	C30—Co3—P3	90
N2—C20—C22	107.7 (3)	C30^iii—Co3—P3	90
C21—C20—C22	111.6 (3)	C30^vii—Co3—P3	90
N2—C20—C22^iv	107.7 (3)	Cl3—C35—Cl2	112.8 (2)
C21—C20—C22^iv	111.6 (3)	Cl3—C35—H35A	109
C22—C20—C22^iv	111.0 (4)	Cl2—C35—H35A	109
C20—C21—H21A	109.5	Cl3—C35—H35B	109
C20—C21—H21B	109.5	Cl2—C35—H35B	109
H21A—C21—H21B	109.5	H35A—C35—H35B	107.8
C20—C21—H21C	109.5	O6—Cl1—O6^iv	115.0 (5)
H21A—C21—H21C	109.5	O5—Cl1—O4	109.8 (3)
H21B—C21—H21C	109.5	O6—Cl1—O4	106.5 (2)
C20—C22—H22A	109.5	O6—Cl1—O5	109.4 (2)
C20—C22—H22B	109.5	O6^iv—Cl1—O5	109.4 (2)
H22A—C22—H22B	109.5	O6^iv—Cl1—O4	106.5 (2)
C20—C22—H22C	109.5
C6—C1—C2—C3	−2.8 (5)	C17—C12—P2—C12^ii	−150.7 (3)
P1—C1—C2—C3	174.2 (3)	C13—C12—P2—C12^ii	28.9 (3)
C1—C2—C3—C4	1.5 (5)	C17—C12—P2—Co2	−25.5 (3)
C2—C3—C4—O1	−179.2 (3)	C13—C12—P2—Co2	154.1 (2)
C2—C3—C4—C5	1.2 (5)	C12^vi—P2—Co2—C19^ii	−45.55 (16)
O1—C4—C5—C6	177.9 (3)	C12—P2—Co2—C19^ii	74.45 (16)
C3—C4—C5—C6	−2.5 (5)	C12^ii—P2—Co2—C19^ii	−165.55 (16)
C4—C5—C6—C1	1.2 (5)	C12^vi—P2—Co2—C19	74.45 (16)
C2—C1—C6—C5	1.4 (5)	C12—P2—Co2—C19	−165.55 (16)
P1—C1—C6—C5	−175.4 (3)	C12^ii—P2—Co2—C19	−45.55 (16)
C3—C4—O1—C7	8.5 (5)	C12^vi—P2—Co2—C19^vi	−165.55 (16)
C5—C4—O1—C7	−171.9 (3)	C12—P2—Co2—C19^vi	−45.55 (16)
C2—C1—P1—C1^v	170.9 (2)	C12^ii—P2—Co2—C19^vi	74.45 (16)
C6—C1—P1—C1^v	−12.3 (3)	C28—C23—C24—C25	−0.6 (5)
C2—C1—P1—C1^i	−83.4 (3)	P3—C23—C24—C25	179.7 (3)
C6—C1—P1—C1^i	93.4 (2)	C23—C24—C25—C26	0.1 (5)
C2—C1—P1—Co1	43.7 (3)	C24—C25—C26—O3	179.5 (3)
C6—C1—P1—Co1	−139.5 (2)	C24—C25—C26—C27	0.4 (5)
C1^v—P1—Co1—C8	41.50 (17)	O3—C26—C27—C28	−179.6 (3)
C1^i—P1—Co1—C8	−78.50 (17)	C25—C26—C27—C28	−0.4 (6)
C1—P1—Co1—C8	161.50 (17)	C26—C27—C28—C23	−0.1 (6)
C1^v—P1—Co1—C8^i	−78.50 (17)	C24—C23—C28—C27	0.6 (5)
C1^i—P1—Co1—C8^i	161.50 (17)	P3—C23—C28—C27	−179.7 (3)
C1—P1—Co1—C8^i	41.50 (17)	C25—C26—O3—C29	−3.5 (5)
C1^v—P1—Co1—C8^v	161.50 (17)	C27—C26—O3—C29	175.7 (3)
C1^i—P1—Co1—C8^v	41.50 (17)	C24—C23—P3—C23^vii	−88.9 (3)
C1—P1—Co1—C8^v	−78.50 (17)	C28—C23—P3—C23^vii	91.4 (2)
C17—C12—C13—C14	−1.7 (5)	C24—C23—P3—C23^iii	162.1 (3)
P2—C12—C13—C14	178.7 (2)	C28—C23—P3—C23^iii	−17.6 (3)
C12—C13—C14—C15	1.1 (5)	C24—C23—P3—Co3	36.6 (3)
C13—C14—C15—O2	179.7 (3)	C28—C23—P3—Co3	−143.1 (2)
C13—C14—C15—C16	0.4 (5)	C23^vii—P3—Co3—C30	−76.20 (17)
O2—C15—C16—C17	179.4 (3)	C23^iii—P3—Co3—C30	43.80 (17)
C14—C15—C16—C17	−1.4 (5)	C23—P3—Co3—C30	163.80 (17)
C13—C12—C17—C16	0.7 (5)	C23^vii—P3—Co3—C30^iii	43.80 (17)
P2—C12—C17—C16	−179.6 (2)	C23^iii—P3—Co3—C30^iii	163.80 (17)
C15—C16—C17—C12	0.8 (5)	C23—P3—Co3—C30^iii	−76.20 (17)
C16—C15—O2—C18	−0.1 (5)	C23^vii—P3—Co3—C30^vii	163.80 (17)
C14—C15—O2—C18	−179.3 (3)	C23^iii—P3—Co3—C30^vii	−76.20 (17)
C17—C12—P2—C12^vi	99.7 (3)	C23—P3—Co3—C30^vii	43.80 (17)
C13—C12—P2—C12^vi	−80.6 (2)

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

(II) Tris(tert-butyl isocyanide)bis[tris(4-methoxyphenyl)phosphine]cobalt(II) bis(perchlorate) dichloromethane disolvate

Crystal data

[Co(C5H9N)3(C21H21O3P)2](ClO4)2·2CH2Cl2	F(000) = 2876
Mr = 1381.77	Dx = 1.324 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 7487 reflections
a = 12.3461 (3) Å	θ = 2.2–28.3°
b = 19.7566 (5) Å	µ = 0.59 mm^−1
c = 28.4452 (7) Å	T = 173 K
β = 92.818 (2)°	Block, red
V = 6929.9 (3) Å^3	0.43 × 0.31 × 0.22 mm
Z = 4

Data collection

CCD area detector diffractometer	11549 reflections with I > 2σ(I)
φ and ω scans	Rint = 0.056
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	θmax = 28°, θmin = 1.3°
Tmin = 0.787, Tmax = 0.882	h = −11→16
93953 measured reflections	k = −26→25
16738 independent reflections	l = −37→37

Refinement

Refinement on F^2	40 restraints
Least-squares matrix: full	H-atom parameters constrained
R[F^2 > 2σ(F^2)] = 0.051	w = 1/[σ^2(Fo^2) + (0.0551P)^2 + 6.8607P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.146	(Δ/σ)max < 0.001
S = 1.06	Δρmax = 0.55 e Å^−3
16738 reflections	Δρmin = −0.41 e Å^−3
848 parameters

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.

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
Co1	0.68257 (3)	0.259635 (17)	0.140563 (11)	0.02421 (9)
P1	0.85415 (5)	0.23994 (3)	0.12087 (2)	0.02777 (14)
P2	0.50954 (5)	0.28107 (3)	0.15757 (2)	0.02748 (14)
O1	0.4094 (2)	0.21261 (12)	0.35471 (8)	0.0583 (7)
O2	0.20341 (19)	0.11000 (13)	0.04109 (9)	0.0597 (7)
O3	0.4076 (2)	0.57047 (11)	0.11887 (7)	0.0536 (6)
O4	1.0815 (2)	0.49649 (11)	0.07796 (9)	0.0562 (6)
O5	0.8796 (2)	0.04875 (13)	−0.04040 (10)	0.0678 (7)
O6	1.1209 (2)	0.09637 (17)	0.26965 (10)	0.0819 (10)
O7	−0.0955 (3)	0.3014 (2)	0.41746 (11)	0.1155 (14)
O8	0.0778 (3)	0.3012 (2)	0.39321 (12)	0.1180 (14)
O9	0.0473 (3)	0.27277 (19)	0.46977 (13)	0.1079 (12)
O10	0.0230 (4)	0.37957 (15)	0.44613 (16)	0.1213 (15)
O11	0.7607 (4)	0.4690 (2)	0.23018 (16)	0.1434 (19)
O12	0.9313 (2)	0.51768 (19)	0.23011 (11)	0.0897 (10)
O13	0.7955 (3)	0.57446 (19)	0.26319 (11)	0.0992 (11)
O14	0.7914 (3)	0.55936 (17)	0.18250 (10)	0.0876 (9)
Cl1	0.01292 (7)	0.31316 (4)	0.43069 (3)	0.0501 (2)
Cl2	0.81796 (7)	0.52868 (4)	0.22679 (3)	0.0495 (2)
N1	0.62505 (19)	0.11146 (11)	0.12094 (8)	0.0328 (5)
N2	0.65614 (19)	0.34645 (12)	0.05362 (7)	0.0347 (5)
N3	0.7585 (2)	0.27935 (13)	0.24208 (8)	0.0404 (6)
C1	0.4785 (2)	0.26315 (14)	0.21791 (9)	0.0310 (5)
C2	0.5114 (2)	0.20180 (14)	0.23851 (10)	0.0352 (6)
H2	0.5507	0.1702	0.2209	0.042*
C3	0.4874 (2)	0.18675 (15)	0.28396 (10)	0.0410 (7)
H3	0.5105	0.145	0.2976	0.049*
C4	0.4295 (3)	0.23258 (16)	0.31005 (10)	0.0417 (7)
C5	0.3979 (3)	0.29366 (16)	0.29062 (10)	0.0439 (7)
H5	0.3597	0.3254	0.3086	0.053*
C6	0.4220 (2)	0.30883 (15)	0.24459 (10)	0.0389 (6)
H6	0.3995	0.3509	0.2312	0.047*
C7	0.3501 (4)	0.2581 (2)	0.38304 (14)	0.0797 (14)
H7A	0.3866	0.3022	0.3843	0.12*
H7B	0.347	0.2398	0.4149	0.12*
H7C	0.2764	0.2636	0.3692	0.12*
C8	0.4127 (2)	0.23227 (14)	0.12155 (9)	0.0320 (6)
C9	0.4234 (3)	0.22742 (17)	0.07336 (10)	0.0455 (7)
H9	0.4802	0.2514	0.0593	0.055*
C10	0.3533 (3)	0.18846 (17)	0.04526 (11)	0.0474 (8)
H10	0.361	0.1866	0.0122	0.057*
C11	0.2724 (2)	0.15241 (16)	0.06547 (11)	0.0437 (7)
C12	0.2592 (3)	0.15734 (19)	0.11281 (12)	0.0560 (9)
H12	0.202	0.1334	0.1265	0.067*
C13	0.3289 (2)	0.19710 (17)	0.14114 (11)	0.0472 (8)
H13	0.319	0.2001	0.174	0.057*
C14	0.2238 (3)	0.0958 (2)	−0.00678 (13)	0.0690 (11)
H14A	0.2148	0.1373	−0.0255	0.103*
H14B	0.1727	0.0614	−0.019	0.103*
H14C	0.2981	0.079	−0.0088	0.103*
C15	0.4757 (2)	0.36890 (13)	0.14731 (9)	0.0296 (5)
C16	0.5510 (2)	0.41826 (14)	0.16158 (10)	0.0368 (6)
H16	0.6172	0.4051	0.1773	0.044*
C17	0.5308 (3)	0.48593 (15)	0.15319 (10)	0.0408 (7)
H17	0.5825	0.5191	0.1634	0.049*
C18	0.4347 (3)	0.50511 (14)	0.12976 (9)	0.0388 (7)
C19	0.3590 (3)	0.45655 (15)	0.11535 (10)	0.0404 (7)
H19	0.2929	0.4699	0.0995	0.048*
C20	0.3792 (2)	0.38927 (14)	0.12399 (10)	0.0356 (6)
H20	0.327	0.3563	0.114	0.043*
C21	0.4878 (4)	0.62149 (17)	0.12987 (13)	0.0702 (12)
H21A	0.5065	0.6209	0.1637	0.105*
H21B	0.4586	0.666	0.1209	0.105*
H21C	0.5528	0.6123	0.1125	0.105*
C22	0.9221 (2)	0.31767 (13)	0.10681 (9)	0.0312 (5)
C23	0.9010 (2)	0.37584 (15)	0.13202 (10)	0.0374 (6)
H23	0.8499	0.374	0.1559	0.045*
C24	0.9522 (2)	0.43644 (15)	0.12348 (10)	0.0387 (6)
H24	0.9365	0.4756	0.1413	0.046*
C25	1.0259 (2)	0.43966 (15)	0.08895 (10)	0.0398 (7)
C26	1.0483 (3)	0.38193 (17)	0.06327 (13)	0.0612 (10)
H26	1.0997	0.384	0.0395	0.073*
C27	0.9968 (3)	0.32162 (16)	0.07200 (12)	0.0523 (9)
H27	1.0125	0.2826	0.0541	0.063*
C28	1.0597 (3)	0.55627 (18)	0.10414 (16)	0.0666 (11)
H28A	0.983	0.5684	0.0993	0.1*
H28B	1.1048	0.5935	0.0934	0.1*
H28C	1.0763	0.548	0.1377	0.1*
C29	0.8627 (2)	0.18404 (13)	0.07071 (9)	0.0324 (6)
C30	0.9434 (3)	0.13528 (18)	0.06889 (13)	0.0539 (9)
H30	0.9971	0.1324	0.0939	0.065*
C31	0.9470 (3)	0.09095 (19)	0.03146 (15)	0.0640 (11)
H31	1.0024	0.0576	0.0311	0.077*
C32	0.8705 (3)	0.09494 (16)	−0.00533 (11)	0.0465 (8)
C33	0.7906 (3)	0.14317 (16)	−0.00476 (10)	0.0487 (8)
H33	0.7386	0.1467	−0.0304	0.058*
C34	0.7859 (3)	0.18657 (16)	0.03328 (10)	0.0451 (8)
H34	0.729	0.2189	0.0338	0.054*
C35	0.7954 (4)	0.0470 (2)	−0.07718 (13)	0.0821 (14)
H35A	0.7251	0.0403	−0.0633	0.123*
H35B	0.8091	0.0096	−0.0988	0.123*
H35C	0.7947	0.0899	−0.0945	0.123*
C36	0.9381 (2)	0.19975 (15)	0.16688 (9)	0.0355 (6)
C37	0.9041 (3)	0.13940 (18)	0.18639 (12)	0.0524 (9)
H37	0.836	0.1208	0.1762	0.063*
C38	0.9668 (3)	0.1061 (2)	0.22006 (14)	0.0657 (11)
H38	0.9427	0.0644	0.2325	0.079*
C39	1.0662 (3)	0.1334 (2)	0.23604 (12)	0.0578 (10)
C40	1.0996 (2)	0.1944 (2)	0.21841 (11)	0.0517 (8)
H40	1.1658	0.2141	0.2301	0.062*
C41	1.0364 (2)	0.22721 (16)	0.18343 (10)	0.0402 (7)
H41	1.0607	0.2687	0.1708	0.048*
C42	1.2229 (4)	0.1226 (4)	0.2875 (2)	0.127 (3)
H42A	1.2709	0.1291	0.2614	0.191*
H42B	1.2563	0.0905	0.3102	0.191*
H42C	1.2115	0.166	0.3031	0.191*
C43	0.7289 (2)	0.26853 (14)	0.20416 (9)	0.0323 (6)
C44	0.6470 (2)	0.16677 (14)	0.12926 (8)	0.0299 (5)
C45	0.6616 (2)	0.30927 (13)	0.08462 (9)	0.0307 (5)
C46	0.6531 (3)	0.39462 (15)	0.01432 (10)	0.0410 (7)
C47	0.7213 (3)	0.3633 (2)	−0.02354 (11)	0.0606 (10)
H47A	0.7961	0.3575	−0.011	0.091*
H47B	0.7204	0.3931	−0.0511	0.091*
H47C	0.691	0.3191	−0.0328	0.091*
C48	0.5346 (3)	0.40141 (18)	−0.00238 (11)	0.0507 (8)
H48A	0.5072	0.3573	−0.0133	0.076*
H48B	0.5283	0.4341	−0.0283	0.076*
H48C	0.4922	0.4172	0.0237	0.076*
C49	0.6993 (4)	0.46024 (19)	0.03341 (14)	0.0718 (12)
H49A	0.6548	0.4767	0.0586	0.108*
H49B	0.6995	0.4939	0.0081	0.108*
H49C	0.7737	0.4528	0.046	0.108*
C50	0.5953 (2)	0.04203 (13)	0.10785 (10)	0.0362 (6)
C51	0.6943 (3)	−0.00155 (17)	0.11717 (14)	0.0584 (9)
H51A	0.7524	0.0137	0.0974	0.088*
H51B	0.6764	−0.0488	0.1098	0.088*
H51C	0.7186	0.0022	0.1504	0.088*
C52	0.5592 (3)	0.04302 (17)	0.05593 (11)	0.0562 (9)
H52A	0.4971	0.0735	0.0511	0.084*
H52B	0.5383	−0.0028	0.0458	0.084*
H52C	0.6191	0.0589	0.0374	0.084*
C53	0.5034 (3)	0.02117 (19)	0.13816 (13)	0.0608 (10)
H53A	0.5273	0.0245	0.1715	0.091*
H53B	0.4825	−0.0256	0.1308	0.091*
H53C	0.4411	0.0511	0.1318	0.091*
C54	0.7997 (3)	0.29097 (17)	0.29064 (10)	0.0486 (8)
C55	0.7164 (3)	0.3319 (2)	0.31506 (12)	0.0622 (10)
H55A	0.7072	0.3758	0.2994	0.093*
H55B	0.7406	0.3388	0.348	0.093*
H55C	0.6471	0.3076	0.3136	0.093*
C56	0.8160 (5)	0.2215 (2)	0.31198 (13)	0.0860 (15)
H56A	0.7465	0.1975	0.3115	0.129*
H56B	0.8448	0.2259	0.3446	0.129*
H56C	0.8674	0.1958	0.2937	0.129*
C57	0.9048 (3)	0.3301 (3)	0.28810 (13)	0.0792 (13)
H57A	0.957	0.3034	0.2711	0.119*
H57B	0.9345	0.3393	0.32	0.119*
H57C	0.8908	0.373	0.2716	0.119*
C58	0.6802	0.2026	0.4236	0.140 (3)	0.489 (8)
H58A	0.7314	0.2384	0.4145	0.21*	0.489 (8)
H58B	0.6467	0.1833	0.3942	0.21*	0.489 (8)
Cl3A	0.7552 (6)	0.1376 (4)	0.4540 (4)	0.267 (7)	0.489 (8)
Cl4A	0.5903	0.2357	0.4517	0.144 (2)	0.489 (8)
C58A	0.6802	0.2026	0.4236	0.140 (3)	0.511 (8)
H58C	0.6424	0.1939	0.3927	0.21*	0.511 (8)
H58D	0.7431	0.2324	0.4186	0.21*	0.511 (8)
Cl3B	0.7242 (4)	0.1265 (2)	0.44896 (13)	0.0987 (14)	0.511 (8)
Cl4B	0.5902	0.2428	0.462	0.120 (2)	0.511 (8)
C59	0.538 (2)	0.4671 (14)	0.3261 (13)	0.094 (10)	0.164 (3)
H59A	0.5737	0.5114	0.3318	0.113*	0.164 (3)
H59B	0.5773	0.4435	0.3014	0.113*	0.164 (3)
Cl9A	0.4103 (5)	0.4808 (4)	0.3059 (4)	0.103 (3)	0.164 (3)
Cl9B	0.5493 (5)	0.4187 (3)	0.3784 (2)	0.070 (2)	0.164 (3)
Cl5A	0.1850 (7)	0.4127 (5)	0.2062 (3)	0.0751 (13)	0.291 (7)
C60A	0.1346 (15)	0.4396 (14)	0.2581 (7)	0.105 (8)*	0.291 (7)
H60A	0.095	0.4016	0.2721	0.126*	0.291 (7)
H60B	0.0817	0.4763	0.2511	0.126*	0.291 (7)
Cl6A	0.2342 (7)	0.4694 (7)	0.3002 (4)	0.0783 (9)	0.291 (7)
Cl5B	0.155 (2)	0.4135 (19)	0.2086 (7)	0.0751 (13)	0.079 (3)
C60B	0.165 (4)	0.4669 (14)	0.2589 (8)	0.041 (9)*	0.079 (3)
H60C	0.2296	0.4965	0.2576	0.049*	0.079 (3)
H60D	0.0998	0.4959	0.2601	0.049*	0.079 (3)
Cl6B	0.1764 (12)	0.4144 (10)	0.3087 (5)	0.0783 (9)	0.079 (3)
Cl5C	0.2073 (6)	0.4426 (5)	0.2086 (3)	0.0751 (13)	0.183 (3)
C60C	0.149 (3)	0.3804 (13)	0.2389 (7)	0.083 (11)*	0.183 (3)
H60E	0.073	0.3763	0.2268	0.1*	0.183 (3)
H60F	0.186	0.3375	0.2313	0.1*	0.183 (3)
Cl6C	0.1491 (5)	0.3869 (4)	0.2977 (3)	0.0783 (9)	0.183 (3)
Cl5D	0.1602 (6)	0.3936 (4)	0.2201 (3)	0.0751 (13)	0.358 (7)
C60D	0.1424 (9)	0.4309 (7)	0.2745 (5)	0.060 (3)*	0.358 (7)
H60G	0.1186	0.3961	0.2968	0.072*	0.358 (7)
H60H	0.0846	0.4655	0.2711	0.072*	0.358 (7)
Cl6D	0.2645 (5)	0.4699 (5)	0.2982 (3)	0.0783 (9)	0.358 (7)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Co1	0.02695 (17)	0.02599 (18)	0.01963 (15)	−0.00013 (13)	0.00066 (12)	0.00018 (12)
P1	0.0281 (3)	0.0292 (3)	0.0262 (3)	0.0003 (3)	0.0029 (2)	0.0009 (2)
P2	0.0272 (3)	0.0294 (3)	0.0258 (3)	0.0000 (3)	0.0015 (2)	−0.0006 (2)
O1	0.0768 (17)	0.0562 (14)	0.0449 (12)	0.0095 (12)	0.0327 (12)	0.0145 (11)
O2	0.0484 (14)	0.0684 (17)	0.0620 (15)	−0.0245 (12)	0.0007 (11)	−0.0219 (12)
O3	0.0862 (18)	0.0310 (12)	0.0420 (12)	0.0012 (11)	−0.0133 (11)	0.0059 (9)
O4	0.0634 (15)	0.0400 (13)	0.0676 (15)	−0.0176 (11)	0.0260 (12)	−0.0059 (11)
O5	0.0758 (18)	0.0539 (15)	0.0750 (17)	0.0028 (13)	0.0154 (14)	−0.0362 (13)
O6	0.0421 (14)	0.123 (3)	0.0790 (19)	−0.0055 (15)	−0.0173 (13)	0.0555 (18)
O7	0.074 (2)	0.206 (4)	0.0654 (19)	−0.035 (2)	−0.0111 (16)	−0.016 (2)
O8	0.095 (3)	0.184 (4)	0.076 (2)	0.035 (3)	0.0207 (19)	−0.017 (2)
O9	0.117 (3)	0.097 (3)	0.107 (3)	0.022 (2)	−0.018 (2)	0.045 (2)
O10	0.162 (4)	0.0427 (18)	0.156 (4)	0.019 (2)	−0.032 (3)	−0.025 (2)
O11	0.163 (4)	0.100 (3)	0.159 (4)	−0.078 (3)	−0.081 (3)	0.048 (3)
O12	0.0536 (17)	0.123 (3)	0.092 (2)	0.0248 (17)	0.0000 (15)	−0.0176 (19)
O13	0.101 (2)	0.121 (3)	0.077 (2)	0.026 (2)	0.0240 (18)	−0.0389 (19)
O14	0.106 (2)	0.090 (2)	0.0649 (18)	0.0191 (19)	−0.0150 (17)	0.0006 (16)
Cl1	0.0668 (5)	0.0409 (4)	0.0411 (4)	0.0082 (4)	−0.0127 (4)	−0.0096 (3)
Cl2	0.0491 (4)	0.0511 (5)	0.0479 (4)	0.0046 (4)	−0.0024 (3)	−0.0133 (3)
N1	0.0378 (13)	0.0275 (13)	0.0329 (11)	−0.0014 (10)	−0.0002 (9)	−0.0013 (9)
N2	0.0413 (13)	0.0340 (13)	0.0289 (11)	0.0071 (10)	0.0039 (9)	0.0045 (9)
N3	0.0451 (14)	0.0473 (15)	0.0285 (12)	−0.0021 (11)	−0.0017 (10)	−0.0023 (10)
C1	0.0292 (13)	0.0353 (14)	0.0290 (12)	−0.0021 (11)	0.0065 (10)	0.0008 (10)
C2	0.0366 (15)	0.0316 (15)	0.0386 (14)	0.0021 (11)	0.0120 (11)	0.0001 (11)
C3	0.0459 (17)	0.0351 (16)	0.0433 (16)	0.0033 (13)	0.0136 (13)	0.0094 (12)
C4	0.0447 (17)	0.0454 (17)	0.0362 (15)	0.0003 (14)	0.0151 (12)	0.0067 (12)
C5	0.0474 (18)	0.0439 (18)	0.0418 (16)	0.0113 (14)	0.0176 (13)	0.0003 (13)
C6	0.0421 (16)	0.0387 (16)	0.0366 (14)	0.0080 (13)	0.0079 (12)	0.0032 (12)
C7	0.111 (4)	0.080 (3)	0.053 (2)	0.029 (3)	0.050 (2)	0.020 (2)
C8	0.0285 (13)	0.0302 (14)	0.0371 (14)	−0.0001 (11)	−0.0018 (11)	−0.0033 (11)
C9	0.0480 (18)	0.054 (2)	0.0341 (15)	−0.0174 (15)	−0.0032 (13)	0.0033 (13)
C10	0.0467 (18)	0.057 (2)	0.0374 (15)	−0.0152 (15)	−0.0071 (13)	−0.0040 (14)
C11	0.0320 (15)	0.0454 (18)	0.0529 (18)	−0.0035 (13)	−0.0053 (13)	−0.0128 (14)
C12	0.0405 (18)	0.071 (2)	0.058 (2)	−0.0249 (17)	0.0141 (15)	−0.0160 (17)
C13	0.0355 (16)	0.062 (2)	0.0446 (17)	−0.0098 (15)	0.0120 (13)	−0.0143 (15)
C14	0.070 (3)	0.075 (3)	0.061 (2)	−0.028 (2)	−0.0091 (19)	−0.022 (2)
C15	0.0310 (13)	0.0314 (14)	0.0265 (12)	0.0012 (11)	0.0038 (10)	−0.0009 (10)
C16	0.0380 (15)	0.0362 (16)	0.0358 (14)	0.0006 (12)	−0.0032 (12)	−0.0048 (11)
C17	0.0511 (18)	0.0371 (16)	0.0337 (14)	−0.0079 (13)	−0.0026 (13)	−0.0067 (12)
C18	0.0579 (19)	0.0331 (15)	0.0252 (12)	0.0023 (13)	−0.0001 (12)	0.0009 (11)
C19	0.0436 (17)	0.0402 (17)	0.0365 (14)	0.0052 (13)	−0.0059 (12)	0.0050 (12)
C20	0.0358 (15)	0.0336 (15)	0.0371 (14)	−0.0010 (12)	−0.0014 (11)	0.0018 (11)
C21	0.120 (4)	0.0320 (18)	0.057 (2)	−0.015 (2)	−0.017 (2)	0.0041 (15)
C22	0.0325 (14)	0.0322 (14)	0.0291 (12)	−0.0052 (11)	0.0043 (10)	−0.0011 (10)
C23	0.0404 (16)	0.0393 (16)	0.0338 (14)	−0.0050 (12)	0.0139 (12)	−0.0067 (11)
C24	0.0425 (16)	0.0329 (15)	0.0415 (15)	−0.0069 (12)	0.0102 (12)	−0.0104 (12)
C25	0.0399 (16)	0.0379 (16)	0.0422 (15)	−0.0110 (13)	0.0076 (12)	−0.0020 (12)
C26	0.074 (2)	0.048 (2)	0.065 (2)	−0.0177 (18)	0.0473 (19)	−0.0115 (16)
C27	0.065 (2)	0.0362 (17)	0.059 (2)	−0.0113 (15)	0.0350 (17)	−0.0138 (14)
C28	0.068 (2)	0.0375 (19)	0.096 (3)	−0.0166 (17)	0.027 (2)	−0.0113 (19)
C29	0.0351 (14)	0.0293 (14)	0.0336 (13)	0.0001 (11)	0.0091 (11)	−0.0031 (10)
C30	0.0330 (16)	0.051 (2)	0.076 (2)	0.0089 (14)	−0.0100 (15)	−0.0268 (17)
C31	0.0383 (18)	0.055 (2)	0.098 (3)	0.0111 (16)	−0.0017 (18)	−0.041 (2)
C32	0.0546 (19)	0.0357 (16)	0.0508 (18)	−0.0061 (14)	0.0183 (15)	−0.0153 (13)
C33	0.077 (2)	0.0417 (18)	0.0278 (14)	0.0139 (16)	0.0021 (14)	−0.0030 (12)
C34	0.064 (2)	0.0418 (17)	0.0291 (13)	0.0223 (15)	−0.0002 (13)	0.0004 (12)
C35	0.145 (4)	0.055 (2)	0.046 (2)	0.005 (3)	−0.002 (2)	−0.0212 (18)
C36	0.0288 (13)	0.0450 (17)	0.0327 (13)	0.0027 (12)	0.0002 (11)	0.0050 (12)
C37	0.0361 (17)	0.059 (2)	0.061 (2)	−0.0074 (15)	−0.0115 (14)	0.0238 (17)
C38	0.0417 (19)	0.077 (3)	0.077 (3)	−0.0084 (18)	−0.0124 (17)	0.042 (2)
C39	0.0315 (16)	0.087 (3)	0.054 (2)	0.0003 (17)	−0.0045 (14)	0.0297 (19)
C40	0.0307 (15)	0.081 (3)	0.0430 (17)	−0.0077 (16)	−0.0031 (13)	0.0101 (16)
C41	0.0322 (15)	0.0523 (19)	0.0362 (14)	−0.0055 (13)	0.0033 (11)	0.0029 (13)
C42	0.047 (2)	0.208 (7)	0.122 (4)	−0.029 (3)	−0.041 (3)	0.099 (5)
C43	0.0319 (14)	0.0370 (15)	0.0278 (13)	−0.0018 (11)	−0.0009 (10)	−0.0026 (11)
C44	0.0280 (13)	0.0375 (16)	0.0241 (11)	0.0015 (11)	0.0007 (10)	0.0015 (10)
C45	0.0328 (14)	0.0318 (14)	0.0278 (12)	0.0030 (11)	0.0051 (10)	0.0012 (10)
C46	0.0506 (18)	0.0402 (17)	0.0324 (14)	0.0093 (13)	0.0050 (12)	0.0156 (12)
C47	0.064 (2)	0.079 (3)	0.0412 (17)	0.0259 (19)	0.0189 (16)	0.0265 (17)
C48	0.053 (2)	0.057 (2)	0.0425 (17)	0.0194 (16)	0.0038 (14)	0.0152 (15)
C49	0.101 (3)	0.049 (2)	0.064 (2)	−0.012 (2)	−0.007 (2)	0.0209 (18)
C50	0.0468 (17)	0.0236 (14)	0.0382 (14)	−0.0027 (12)	0.0024 (12)	−0.0008 (11)
C51	0.059 (2)	0.0357 (18)	0.079 (3)	0.0098 (16)	−0.0074 (18)	−0.0077 (17)
C52	0.087 (3)	0.0368 (18)	0.0431 (17)	−0.0058 (17)	−0.0097 (17)	−0.0057 (14)
C53	0.065 (2)	0.057 (2)	0.062 (2)	−0.0250 (18)	0.0157 (18)	−0.0084 (17)
C54	0.064 (2)	0.055 (2)	0.0254 (13)	−0.0064 (16)	−0.0111 (13)	−0.0056 (13)
C55	0.082 (3)	0.068 (2)	0.0372 (17)	−0.009 (2)	0.0052 (17)	−0.0157 (16)
C56	0.146 (5)	0.069 (3)	0.0390 (19)	0.018 (3)	−0.030 (2)	−0.0042 (18)
C57	0.064 (3)	0.126 (4)	0.046 (2)	−0.025 (3)	−0.0131 (18)	−0.014 (2)
C58	0.205 (8)	0.112 (5)	0.110 (5)	−0.030 (5)	0.076 (5)	0.011 (4)
Cl3A	0.098 (4)	0.143 (5)	0.570 (18)	0.020 (4)	0.113 (6)	0.135 (7)
Cl4A	0.120 (4)	0.141 (5)	0.168 (4)	0.025 (3)	−0.027 (3)	0.043 (3)
C58A	0.205 (8)	0.112 (5)	0.110 (5)	−0.030 (5)	0.076 (5)	0.011 (4)
Cl3B	0.093 (3)	0.095 (2)	0.110 (3)	−0.0008 (19)	0.0289 (17)	0.0129 (17)
Cl4B	0.181 (5)	0.110 (3)	0.075 (2)	−0.002 (3)	0.055 (2)	0.0062 (18)
C59	0.058 (16)	0.049 (15)	0.17 (3)	−0.001 (12)	−0.010 (18)	0.018 (17)
Cl9A	0.053 (4)	0.059 (4)	0.194 (10)	−0.014 (3)	−0.019 (5)	0.017 (5)
Cl9B	0.050 (3)	0.089 (5)	0.074 (4)	−0.013 (3)	0.013 (3)	−0.030 (3)
Cl5A	0.055 (2)	0.097 (4)	0.073 (2)	0.012 (2)	−0.0045 (16)	−0.007 (2)
Cl6A	0.042 (2)	0.1016 (15)	0.0905 (14)	0.002 (2)	−0.0019 (19)	−0.0184 (11)
Cl5B	0.055 (2)	0.097 (4)	0.073 (2)	0.012 (2)	−0.0045 (16)	−0.007 (2)
Cl6B	0.042 (2)	0.1016 (15)	0.0905 (14)	0.002 (2)	−0.0019 (19)	−0.0184 (11)
Cl5C	0.055 (2)	0.097 (4)	0.073 (2)	0.012 (2)	−0.0045 (16)	−0.007 (2)
Cl6C	0.042 (2)	0.1016 (15)	0.0905 (14)	0.002 (2)	−0.0019 (19)	−0.0184 (11)
Cl5D	0.055 (2)	0.097 (4)	0.073 (2)	0.012 (2)	−0.0045 (16)	−0.007 (2)
Cl6D	0.042 (2)	0.1016 (15)	0.0905 (14)	0.002 (2)	−0.0019 (19)	−0.0184 (11)

Geometric parameters (Å, º)

Co1—C45	1.876 (3)	C30—C31	1.381 (5)
Co1—C43	1.879 (3)	C30—H30	0.95
Co1—C44	1.910 (3)	C31—C32	1.377 (5)
Co1—P1	2.2515 (7)	C31—H31	0.95
Co1—P2	2.2536 (7)	C32—C33	1.372 (5)
C44—N1	1.148 (3)	C33—C34	1.384 (4)
C45—N2	1.147 (3)	C33—H33	0.95
C43—N3	1.142 (3)	C34—H34	0.95
N1—C50	1.463 (3)	C35—H35A	0.98
N2—C46	1.467 (3)	C35—H35B	0.98
N3—C54	1.466 (3)	C35—H35C	0.98
P1—C22	1.804 (3)	C36—C37	1.389 (4)
P1—C29	1.811 (3)	C36—C41	1.390 (4)
P1—C36	1.812 (3)	C37—C38	1.370 (4)
P2—C15	1.805 (3)	C37—H37	0.95
P2—C1	1.812 (3)	C38—C39	1.397 (5)
P2—C8	1.813 (3)	C38—H38	0.95
O1—C4	1.365 (3)	C39—C40	1.376 (5)
O1—C7	1.432 (4)	C40—C41	1.394 (4)
O2—C11	1.360 (3)	C40—H40	0.95
O2—C14	1.425 (4)	C41—H41	0.95
O3—C18	1.366 (3)	C42—H42A	0.98
O3—C21	1.436 (4)	C42—H42B	0.98
O4—C25	1.360 (3)	C42—H42C	0.98
O4—C28	1.429 (4)	C46—C49	1.507 (5)
O5—C32	1.361 (3)	C46—C48	1.521 (4)
O5—C35	1.438 (5)	C46—C47	1.530 (4)
O6—C39	1.358 (4)	C47—H47A	0.98
O6—C42	1.431 (5)	C47—H47B	0.98
O7—Cl1	1.392 (3)	C47—H47C	0.98
O8—Cl1	1.385 (3)	C48—H48A	0.98
O9—Cl1	1.416 (3)	C48—H48B	0.98
O10—Cl1	1.387 (3)	C48—H48C	0.98
O11—Cl2	1.380 (3)	C49—H49A	0.98
O12—Cl2	1.415 (3)	C49—H49B	0.98
O13—Cl2	1.412 (3)	C49—H49C	0.98
O14—Cl2	1.422 (3)	C50—C51	1.508 (4)
C1—C6	1.389 (4)	C50—C53	1.515 (4)
C1—C2	1.398 (4)	C50—C52	1.522 (4)
C2—C3	1.373 (4)	C51—H51A	0.98
C2—H2	0.95	C51—H51B	0.98
C3—C4	1.391 (4)	C51—H51C	0.98
C3—H3	0.95	C52—H52A	0.98
C4—C5	1.376 (4)	C52—H52B	0.98
C5—C6	1.390 (4)	C52—H52C	0.98
C5—H5	0.95	C53—H53A	0.98
C6—H6	0.95	C53—H53B	0.98
C7—H7A	0.98	C53—H53C	0.98
C7—H7B	0.98	C54—C55	1.505 (5)
C7—H7C	0.98	C54—C56	1.511 (5)
C8—C13	1.385 (4)	C54—C57	1.515 (5)
C8—C9	1.387 (4)	C55—H55A	0.98
C9—C10	1.383 (4)	C55—H55B	0.98
C9—H9	0.95	C55—H55C	0.98
C10—C11	1.376 (4)	C56—H56A	0.98
C10—H10	0.95	C56—H56B	0.98
C11—C12	1.368 (5)	C56—H56C	0.98
C12—C13	1.392 (4)	C57—H57A	0.98
C12—H12	0.95	C57—H57B	0.98
C13—H13	0.95	C57—H57C	0.98
C14—H14A	0.98	C58—Cl4A	1.5437
C14—H14B	0.98	C58—Cl3A	1.782 (8)
C14—H14C	0.98	C58—H58A	0.99
C15—C20	1.394 (4)	C58—H58B	0.99
C15—C16	1.394 (4)	C58A—Cl3B	1.744 (4)
C16—C17	1.378 (4)	C58A—Cl4B	1.7836
C16—H16	0.95	C58A—H58C	0.99
C17—C18	1.385 (4)	C58A—H58D	0.99
C17—H17	0.95	C59—Cl9A	1.67 (3)
C18—C19	1.387 (4)	C59—Cl9B	1.77 (3)
C19—C20	1.372 (4)	C59—H59A	0.99
C19—H19	0.95	C59—H59B	0.99
C20—H20	0.95	Cl9A—Cl6D	1.815 (9)
C21—H21A	0.98	Cl9A—Cl6A	2.184 (11)
C21—H21B	0.98	Cl5A—C60A	1.714 (16)
C21—H21C	0.98	C60A—Cl6A	1.775 (16)
C22—C23	1.386 (4)	C60A—H60A	0.99
C22—C27	1.388 (4)	C60A—H60B	0.99
C23—C24	1.381 (4)	Cl5B—C60B	1.777 (19)
C23—H23	0.95	C60B—Cl6B	1.755 (19)
C24—C25	1.373 (4)	C60B—H60C	0.99
C24—H24	0.95	C60B—H60D	0.99
C25—C26	1.390 (4)	Cl5C—C60C	1.680 (18)
C26—C27	1.379 (4)	C60C—Cl6C	1.678 (18)
C26—H26	0.95	C60C—H60E	0.99
C27—H27	0.95	C60C—H60F	0.99
C28—H28A	0.98	Cl5D—C60D	1.737 (12)
C28—H28B	0.98	C60D—Cl6D	1.794 (11)
C28—H28C	0.98	C60D—H60G	0.99
C29—C30	1.389 (4)	C60D—H60H	0.99
C29—C34	1.391 (4)
N1—C44—Co1	177.8 (2)	C32—C33—H33	120.1
N2—C45—Co1	170.8 (2)	C34—C33—H33	120.1
N3—C43—Co1	174.5 (3)	C33—C34—C29	121.6 (3)
C43—N3—C54	177.7 (3)	C33—C34—H34	119.2
C44—N1—C50	177.0 (3)	C29—C34—H34	119.2
C45—N2—C46	178.0 (3)	O5—C35—H35A	109.5
C45—Co1—C43	142.25 (12)	O5—C35—H35B	109.5
C45—Co1—C44	109.77 (11)	H35A—C35—H35B	109.5
C43—Co1—C44	107.97 (11)	O5—C35—H35C	109.5
C43—Co1—P1	90.57 (8)	H35A—C35—H35C	109.5
C44—Co1—P1	90.19 (8)	H35B—C35—H35C	109.5
C45—Co1—P1	88.37 (8)	C37—C36—C41	118.4 (3)
C43—Co1—P2	91.31 (8)	C37—C36—P1	119.4 (2)
C44—Co1—P2	90.25 (8)	C41—C36—P1	122.2 (2)
C45—Co1—P2	89.49 (8)	C38—C37—C36	121.4 (3)
P1—Co1—P2	177.84 (3)	C38—C37—H37	119.3
C22—P1—C29	107.38 (12)	C36—C37—H37	119.3
C22—P1—C36	106.11 (13)	C37—C38—C39	119.9 (3)
C29—P1—C36	104.39 (13)	C37—C38—H38	120
C22—P1—Co1	111.19 (9)	C39—C38—H38	120
C29—P1—Co1	113.14 (9)	O6—C39—C40	125.5 (3)
C36—P1—Co1	114.06 (9)	O6—C39—C38	114.8 (3)
C15—P2—C1	106.43 (12)	C40—C39—C38	119.7 (3)
C15—P2—C8	106.18 (12)	C39—C40—C41	120.0 (3)
C1—P2—C8	105.49 (13)	C39—C40—H40	120
C15—P2—Co1	111.13 (9)	C41—C40—H40	120
C1—P2—Co1	114.42 (9)	C36—C41—C40	120.6 (3)
C8—P2—Co1	112.61 (9)	C36—C41—H41	119.7
C4—O1—C7	117.6 (3)	C40—C41—H41	119.7
C11—O2—C14	118.2 (3)	O6—C42—H42A	109.5
C18—O3—C21	117.1 (3)	O6—C42—H42B	109.5
C25—O4—C28	116.9 (2)	H42A—C42—H42B	109.5
C32—O5—C35	117.8 (3)	O6—C42—H42C	109.5
C39—O6—C42	117.0 (3)	H42A—C42—H42C	109.5
O7—Cl1—O9	111.4 (2)	H42B—C42—H42C	109.5
O8—Cl1—O7	110.4 (2)	N2—C46—C49	106.8 (2)
O8—Cl1—O9	110.3 (2)	N2—C46—C48	106.4 (2)
O8—Cl1—O10	111.0 (3)	C49—C46—C48	112.2 (3)
O10—Cl1—O7	108.3 (3)	N2—C46—C47	106.2 (2)
O10—Cl1—O9	105.4 (2)	C49—C46—C47	113.0 (3)
O11—Cl2—O12	111.9 (3)	C48—C46—C47	111.7 (3)
O11—Cl2—O13	112.1 (3)	C46—C47—H47A	109.5
O11—Cl2—O14	109.2 (2)	C46—C47—H47B	109.5
O12—Cl2—O14	108.0 (2)	H47A—C47—H47B	109.5
O13—Cl2—O12	106.2 (2)	C46—C47—H47C	109.5
O13—Cl2—O14	109.4 (2)	H47A—C47—H47C	109.5
C6—C1—C2	118.5 (2)	H47B—C47—H47C	109.5
C6—C1—P2	121.7 (2)	C46—C48—H48A	109.5
C2—C1—P2	119.7 (2)	C46—C48—H48B	109.5
C3—C2—C1	120.7 (3)	H48A—C48—H48B	109.5
C3—C2—H2	119.6	C46—C48—H48C	109.5
C1—C2—H2	119.6	H48A—C48—H48C	109.5
C2—C3—C4	120.1 (3)	H48B—C48—H48C	109.5
C2—C3—H3	119.9	C46—C49—H49A	109.5
C4—C3—H3	119.9	C46—C49—H49B	109.5
O1—C4—C5	124.5 (3)	H49A—C49—H49B	109.5
O1—C4—C3	115.5 (3)	C46—C49—H49C	109.5
C5—C4—C3	120.0 (3)	H49A—C49—H49C	109.5
C4—C5—C6	119.9 (3)	H49B—C49—H49C	109.5
C4—C5—H5	120.1	N1—C50—C51	107.4 (2)
C6—C5—H5	120.1	N1—C50—C53	107.2 (2)
C1—C6—C5	120.7 (3)	C51—C50—C53	111.6 (3)
C1—C6—H6	119.6	N1—C50—C52	107.0 (2)
C5—C6—H6	119.6	C51—C50—C52	112.0 (3)
O1—C7—H7A	109.5	C53—C50—C52	111.4 (3)
O1—C7—H7B	109.5	C50—C51—H51A	109.5
H7A—C7—H7B	109.5	C50—C51—H51B	109.5
O1—C7—H7C	109.5	H51A—C51—H51B	109.5
H7A—C7—H7C	109.5	C50—C51—H51C	109.5
H7B—C7—H7C	109.5	H51A—C51—H51C	109.5
C13—C8—C9	118.2 (3)	H51B—C51—H51C	109.5
C13—C8—P2	121.6 (2)	C50—C52—H52A	109.5
C9—C8—P2	120.2 (2)	C50—C52—H52B	109.5
C10—C9—C8	121.5 (3)	H52A—C52—H52B	109.5
C10—C9—H9	119.3	C50—C52—H52C	109.5
C8—C9—H9	119.3	H52A—C52—H52C	109.5
C11—C10—C9	119.6 (3)	H52B—C52—H52C	109.5
C11—C10—H10	120.2	C50—C53—H53A	109.5
C9—C10—H10	120.2	C50—C53—H53B	109.5
O2—C11—C12	116.4 (3)	H53A—C53—H53B	109.5
O2—C11—C10	123.7 (3)	C50—C53—H53C	109.5
C12—C11—C10	119.9 (3)	H53A—C53—H53C	109.5
C11—C12—C13	120.7 (3)	H53B—C53—H53C	109.5
C11—C12—H12	119.7	N3—C54—C55	107.8 (3)
C13—C12—H12	119.7	N3—C54—C56	105.6 (3)
C8—C13—C12	120.2 (3)	C55—C54—C56	112.5 (3)
C8—C13—H13	119.9	N3—C54—C57	107.0 (3)
C12—C13—H13	119.9	C55—C54—C57	110.7 (3)
O2—C14—H14A	109.5	C56—C54—C57	112.7 (4)
O2—C14—H14B	109.5	C54—C55—H55A	109.5
H14A—C14—H14B	109.5	C54—C55—H55B	109.5
O2—C14—H14C	109.5	H55A—C55—H55B	109.5
H14A—C14—H14C	109.5	C54—C55—H55C	109.5
H14B—C14—H14C	109.5	H55A—C55—H55C	109.5
C20—C15—C16	118.6 (3)	H55B—C55—H55C	109.5
C20—C15—P2	122.7 (2)	C54—C56—H56A	109.5
C16—C15—P2	118.7 (2)	C54—C56—H56B	109.5
C17—C16—C15	121.1 (3)	H56A—C56—H56B	109.5
C17—C16—H16	119.5	C54—C56—H56C	109.5
C15—C16—H16	119.5	H56A—C56—H56C	109.5
C16—C17—C18	119.4 (3)	H56B—C56—H56C	109.5
C16—C17—H17	120.3	C54—C57—H57A	109.5
C18—C17—H17	120.3	C54—C57—H57B	109.5
O3—C18—C17	124.2 (3)	H57A—C57—H57B	109.5
O3—C18—C19	115.7 (3)	C54—C57—H57C	109.5
C17—C18—C19	120.1 (3)	H57A—C57—H57C	109.5
C20—C19—C18	120.2 (3)	H57B—C57—H57C	109.5
C20—C19—H19	119.9	Cl4A—C58—Cl3A	115.0 (3)
C18—C19—H19	119.9	Cl4A—C58—H58A	108.5
C19—C20—C15	120.6 (3)	Cl3A—C58—H58A	108.5
C19—C20—H20	119.7	Cl4A—C58—H58B	108.5
C15—C20—H20	119.7	Cl3A—C58—H58B	108.5
O3—C21—H21A	109.5	H58A—C58—H58B	107.5
O3—C21—H21B	109.5	Cl3B—C58A—Cl4B	108.73 (13)
H21A—C21—H21B	109.5	Cl3B—C58A—H58C	109.9
O3—C21—H21C	109.5	Cl4B—C58A—H58C	109.9
H21A—C21—H21C	109.5	Cl3B—C58A—H58D	109.9
H21B—C21—H21C	109.5	Cl4B—C58A—H58D	109.9
C23—C22—C27	118.1 (3)	H58C—C58A—H58D	108.3
C23—C22—P1	119.3 (2)	Cl9A—C59—Cl9B	114.3 (18)
C27—C22—P1	122.6 (2)	Cl9A—C59—H59A	108.7
C24—C23—C22	121.9 (2)	Cl9B—C59—H59A	108.7
C24—C23—H23	119	Cl9A—C59—H59B	108.7
C22—C23—H23	119	Cl9B—C59—H59B	108.7
C25—C24—C23	119.4 (3)	H59A—C59—H59B	107.6
C25—C24—H24	120.3	C59—Cl9A—Cl6D	159.1 (12)
C23—C24—H24	120.3	C59—Cl9A—Cl6A	157.9 (12)
O4—C25—C24	124.2 (3)	Cl6D—Cl9A—Cl6A	2.9 (5)
O4—C25—C26	116.2 (3)	Cl5A—C60A—Cl6A	114.6 (11)
C24—C25—C26	119.6 (3)	Cl5A—C60A—H60A	108.6
C27—C26—C25	120.6 (3)	Cl6A—C60A—H60A	108.6
C27—C26—H26	119.7	Cl5A—C60A—H60B	108.6
C25—C26—H26	119.7	Cl6A—C60A—H60B	108.6
C26—C27—C22	120.4 (3)	H60A—C60A—H60B	107.6
C26—C27—H27	119.8	C60A—Cl6A—Cl9A	137.5 (8)
C22—C27—H27	119.8	Cl6B—C60B—Cl5B	107.3 (14)
O4—C28—H28A	109.5	Cl6B—C60B—H60C	110.3
O4—C28—H28B	109.5	Cl5B—C60B—H60C	110.3
H28A—C28—H28B	109.5	Cl6B—C60B—H60D	110.3
O4—C28—H28C	109.5	Cl5B—C60B—H60D	110.3
H28A—C28—H28C	109.5	H60C—C60B—H60D	108.5
H28B—C28—H28C	109.5	Cl6C—C60C—Cl5C	118.5 (14)
C30—C29—C34	117.3 (3)	Cl6C—C60C—H60E	107.7
C30—C29—P1	121.5 (2)	Cl5C—C60C—H60E	107.7
C34—C29—P1	121.2 (2)	Cl6C—C60C—H60F	107.7
C31—C30—C29	121.3 (3)	Cl5C—C60C—H60F	107.7
C31—C30—H30	119.4	H60E—C60C—H60F	107.1
C29—C30—H30	119.4	Cl5D—C60D—Cl6D	112.0 (7)
C32—C31—C30	120.2 (3)	Cl5D—C60D—H60G	109.2
C32—C31—H31	119.9	Cl6D—C60D—H60G	109.2
C30—C31—H31	119.9	Cl5D—C60D—H60H	109.2
O5—C32—C33	124.0 (3)	Cl6D—C60D—H60H	109.2
O5—C32—C31	116.1 (3)	H60G—C60D—H60H	107.9
C33—C32—C31	119.8 (3)	C60D—Cl6D—Cl9A	155.0 (7)
C32—C33—C34	119.8 (3)
C45—Co1—P1—C22	51.80 (12)	O3—C18—C19—C20	179.1 (3)
C43—Co1—P1—C22	−90.46 (12)	C17—C18—C19—C20	−0.4 (4)
C44—Co1—P1—C22	161.57 (12)	C18—C19—C20—C15	0.1 (4)
C45—Co1—P1—C29	−69.14 (13)	C16—C15—C20—C19	−0.1 (4)
C43—Co1—P1—C29	148.61 (13)	P2—C15—C20—C19	−177.4 (2)
C44—Co1—P1—C29	40.63 (12)	C29—P1—C22—C23	160.9 (2)
C45—Co1—P1—C36	171.73 (14)	C36—P1—C22—C23	−87.9 (2)
C43—Co1—P1—C36	29.48 (14)	Co1—P1—C22—C23	36.7 (3)
C44—Co1—P1—C36	−78.50 (13)	C29—P1—C22—C27	−20.2 (3)
C45—Co1—P2—C15	−45.19 (12)	C36—P1—C22—C27	91.0 (3)
C43—Co1—P2—C15	97.06 (12)	Co1—P1—C22—C27	−144.5 (3)
C44—Co1—P2—C15	−154.95 (11)	C27—C22—C23—C24	−0.2 (5)
C45—Co1—P2—C1	−165.75 (13)	P1—C22—C23—C24	178.7 (2)
C43—Co1—P2—C1	−23.50 (13)	C22—C23—C24—C25	0.2 (5)
C44—Co1—P2—C1	84.49 (12)	C28—O4—C25—C24	−0.7 (5)
C45—Co1—P2—C8	73.80 (13)	C28—O4—C25—C26	−179.8 (4)
C43—Co1—P2—C8	−143.95 (13)	C23—C24—C25—O4	−179.4 (3)
C44—Co1—P2—C8	−35.96 (12)	C23—C24—C25—C26	−0.3 (5)
C15—P2—C1—C6	9.9 (3)	O4—C25—C26—C27	179.5 (4)
C8—P2—C1—C6	−102.6 (2)	C24—C25—C26—C27	0.4 (6)
Co1—P2—C1—C6	133.1 (2)	C25—C26—C27—C22	−0.4 (6)
C15—P2—C1—C2	−170.4 (2)	C23—C22—C27—C26	0.3 (5)
C8—P2—C1—C2	77.1 (2)	P1—C22—C27—C26	−178.6 (3)
Co1—P2—C1—C2	−47.2 (2)	C22—P1—C29—C30	95.9 (3)
C6—C1—C2—C3	0.6 (4)	C36—P1—C29—C30	−16.4 (3)
P2—C1—C2—C3	−179.1 (2)	Co1—P1—C29—C30	−141.0 (2)
C1—C2—C3—C4	0.3 (5)	C22—P1—C29—C34	−86.6 (3)
C7—O1—C4—C5	0.8 (5)	C36—P1—C29—C34	161.0 (2)
C7—O1—C4—C3	179.9 (4)	Co1—P1—C29—C34	36.5 (3)
C2—C3—C4—O1	179.6 (3)	C34—C29—C30—C31	−0.2 (5)
C2—C3—C4—C5	−1.3 (5)	P1—C29—C30—C31	177.3 (3)
O1—C4—C5—C6	−179.6 (3)	C29—C30—C31—C32	0.8 (6)
C3—C4—C5—C6	1.4 (5)	C35—O5—C32—C33	−5.1 (5)
C2—C1—C6—C5	−0.5 (4)	C35—O5—C32—C31	174.1 (4)
P2—C1—C6—C5	179.2 (2)	C30—C31—C32—O5	−179.3 (3)
C4—C5—C6—C1	−0.5 (5)	C30—C31—C32—C33	0.1 (6)
C15—P2—C8—C13	−106.3 (3)	O5—C32—C33—C34	177.9 (3)
C1—P2—C8—C13	6.4 (3)	C31—C32—C33—C34	−1.4 (5)
Co1—P2—C8—C13	131.9 (2)	C32—C33—C34—C29	2.0 (5)
C15—P2—C8—C9	76.0 (3)	C30—C29—C34—C33	−1.1 (5)
C1—P2—C8—C9	−171.3 (2)	P1—C29—C34—C33	−178.7 (3)
Co1—P2—C8—C9	−45.8 (3)	C22—P1—C36—C37	177.6 (3)
C13—C8—C9—C10	−0.3 (5)	C29—P1—C36—C37	−69.1 (3)
P2—C8—C9—C10	177.5 (3)	Co1—P1—C36—C37	54.8 (3)
C8—C9—C10—C11	−1.4 (5)	C22—P1—C36—C41	−2.6 (3)
C14—O2—C11—C12	−171.2 (3)	C29—P1—C36—C41	110.6 (3)
C14—O2—C11—C10	7.7 (5)	Co1—P1—C36—C41	−125.4 (2)
C9—C10—C11—O2	−176.4 (3)	C41—C36—C37—C38	−2.1 (5)
C9—C10—C11—C12	2.5 (5)	P1—C36—C37—C38	177.7 (3)
O2—C11—C12—C13	177.1 (3)	C36—C37—C38—C39	1.2 (6)
C10—C11—C12—C13	−1.8 (6)	C42—O6—C39—C40	−1.2 (7)
C9—C8—C13—C12	1.0 (5)	C42—O6—C39—C38	−179.5 (5)
P2—C8—C13—C12	−176.7 (3)	C37—C38—C39—O6	179.5 (4)
C11—C12—C13—C8	0.0 (6)	C37—C38—C39—C40	1.1 (6)
C1—P2—C15—C20	−99.9 (2)	O6—C39—C40—C41	179.3 (4)
C8—P2—C15—C20	12.1 (3)	C38—C39—C40—C41	−2.5 (6)
Co1—P2—C15—C20	134.9 (2)	C37—C36—C41—C40	0.7 (5)
C1—P2—C15—C16	82.8 (2)	P1—C36—C41—C40	−179.1 (2)
C8—P2—C15—C16	−165.2 (2)	C39—C40—C41—C36	1.6 (5)
Co1—P2—C15—C16	−42.4 (2)	Cl9B—C59—Cl9A—Cl6D	−18 (5)
C20—C15—C16—C17	0.4 (4)	Cl9B—C59—Cl9A—Cl6A	−11 (5)
P2—C15—C16—C17	177.8 (2)	Cl5A—C60A—Cl6A—Cl9A	−1 (3)
C15—C16—C17—C18	−0.7 (4)	C59—Cl9A—Cl6A—C60A	−114 (4)
C21—O3—C18—C17	4.3 (4)	Cl6D—Cl9A—Cl6A—C60A	4 (13)
C21—O3—C18—C19	−175.1 (3)	Cl5D—C60D—Cl6D—Cl9A	−27 (2)
C16—C17—C18—O3	−178.7 (3)	C59—Cl9A—Cl6D—C60D	−80 (5)
C16—C17—C18—C19	0.7 (4)	Cl6A—Cl9A—Cl6D—C60D	−148 (15)