A chloride ion contained in a cobalt `claw': [Co₃(DADIT)₃]Cl(PF₆)₂

A trimeric compound containing Co^II is described, namely tris{[mu]-2-[3-(di­methyl­amino)­propyl­imino]­propane-1-thiol­ato}­tricobalt(II) chloride bis­(hexa­fluoro­phosphate), [Co₃(C₁₀H₂₁N₂S)₃]Cl(PF₆)₂. Each Co atom is ligated by one 2-[3-(di­methyl­amino)­propyl­imino]­propane-1-thiol­ate ligand, an am­ine group and an imine group. The thiol­ate groups bridge the Co atoms, forming a six-membered ring that encloses the chloride ion in a well defined binding pocket.

S1. Comment

Host–guest chemistry has received a considerable amount of attention in recent years owing to its importance in biological, material and environmental chemistry (Mueller et al., 1995; Hof et al., 2002; Rebek, 2000). The selective recognition and non-covalent binding of cations is well documented, and numerous systems that perform this function have been prepared. In contrast, comparatively few systems have been prepared that will recognize and non-covalently bind anions (Schmidtchen, 1997). It was reasoned that a metal complex with a well defined electrostatic binding pocket would make an excellent candidate for such an application.

The title compound, [Co₃^II(DADIT)₃](Cl)(PF₆)₂, (I), where DADIT is 2-[3-(dimethylamino)propylimino]propane-1-thiolate, was produced from the reaction of CoCl₂, N,N-dimethyl-propane-1,3-diamine, 3-mercapto-3-methyl- butane-2-one (Shoner et al. 1998) and ferrocinium hexafluorophosphate in acetonitrile·The reaction mixture was then layered with diethyl ether, and after 3 d the title compound crystallized as dark-red needles from the green mother liquor. The crystals were well formed prisms with approximate dimensions of 10 × 10 × 25 mm and were soluble in a number of solvents, including acetonitrile, methanol and dichloromethane. Cutting these large crystals produced smaller fragments, which were suitable for X-ray analysis.

Compound (I) crystallized in the P21/n space group, with four trimers per unit-cell. Each asymmetric unit contains two PF₆ anions, one well ordered chloride anion and one cobalt trimer (Figure 1). Complex 1 contains three Co^II atoms in a distorted tetrahedral coordination environment ligated by two nitrogen ligands and two thiolate sulfur ligands. The two thiolate ligands are bridging, one being derived from the DADIT ligand and the other from an S atom on an adjacent Co^II DADIT unit.

The three bridging thiolate ligands and three Co atoms form a well defined six-membered ring in which the Co—S bond lengths range from 2.259 (1) to 2.324 (1) Å [mean 2.292 (1) Å]. This mean bond length falls in the range expected for a Co^II thiolate bond in this ligand environment (Shoner et al. 1998). The average Co—S—Co bond angle is 100.01 (3)°, while the average S—Co—S bond angle is 132.6 (6)°, and thus the mean bond angle for the six-membered ring is 116°, which is comparable to the angle of 109° that would be expected in the idealized geometry for this ring system.

The Co atoms in the six-membered ring are puckered above the mean plane. Ligated to the cobalt ions and directly above this mean plane are the dimethylamine N atoms derived from the DADIT ligand. The average Co—N(Me)₂ bond distance is 2.086 (3) Å, which is consistent with that expected for a Co^II—N bond length in similar ligand environments (Shoner et al. 1998). These N atoms, along with the cobalt ions, form an electropositively charged pocket that could allow for non-covalent anion binding. The methyl groups derived from the three NMe₂ groups sit above this electropositive pocket and are oriented parallel to the Co—S ring, thus forming a hydrophobic ring. This hydrophobic ring could exhibit similar behavior to that found in membrane proteins, by shielding the polar inner pocket from interactions with the solvent, which both increases the solubility of 1 in less polar solvents and further enhances the stability of the pocket–anion interaction (Spudich, 2000).

Contained in this well defined claw-like setting is a chloride anion, which rests intermediate between the cobalt ions and amine N atoms. The average distance between the cobalt and chloride ions is 2.665 (5) Å, and the average distance between the Co and N atoms is 3.498 (9) Å. This places the Cl atom well out of bonding distance for both the N and the Co atoms, which indicates that the chloride ion is associated in the binding pocket through a Coulomb interaction and not a covalent bond. All studies performed thus far have indicated that the chloride ion will not exchange for other anions, thus indicating that the chloride anion is tightly bound in the binding pocket. Studies aimed at generating other complexes of similar structure with different anions are currently under way.

S2. Experimental

For the preparation of (I), 3-mercapto-3-methyl- butane-2-one (472 mg, 4 mmol s) in acetonitrile (10 ml) was added to a stirred solution of NaOMe (216 mg, 4 mmol s) in acetonitrile (10 ml). The mixture was stirred for 10 min and then anhydrous CoCl2 (258 mg, 2 mmol s) in methanol (20 ml) was added dropwise. A brick-red precipitate formed immediately. To this precipitate was added N,N'-dimethyl-1,3-diamino-propane (408 mg) in acetonitrile (10 ml). The solution turned dark green and was stirred overnight at room temperature. Ferrocinium hexafluorophosphate (693 mg, 2.1 mmol s) was then added to the mixture in one portion, and after 1 h, the solids were removed by vacuum filtration. The filtrate was then concentrated to 5 ml, layered with diethyl ether (10 ml) and cooled to 243 K. After 3 d, (I) had formed as dark-red crystals.

S3. Refinement

All H atoms were refined using a riding model, with C—H distances of 0.98–0.99 Å.

Computing details

Data collection: Collect (Nonius, 1998); cell refinement: HKL SCALEPACK (Otwinowski & Minor, 1997); data reduction: DENZO (Otwinowski and Minor, 1997); program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: maXus (MacKay et al., 1998) and ZORTEP (Zsolnai & Huttner, 1994).

Figures

Fig. 1. A view of [Co^II3(DADIT)3](Cl)(PF6)2, with the atomic numbering scheme. Displacement ellipsoids are drawn at the 50% probability level.

(I)

Crystal data

[Co3(C10H21N2S)3](Cl)(PF6)2	F(000) = 2276
Mr = 1106.22	Dx = 1.603 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71070 Å
a = 12.5020 (2) Å	Cell parameters from 1038 reflections
b = 17.2040 (3) Å	θ = 1.9–27.5°
c = 21.3400 (3) Å	µ = 1.42 mm^−1
β = 93.0940 (11)°	T = 130 K
V = 4583.21 (13) Å^3	Prism, dark-red
Z = 4	0.37 × 0.30 × 0.25 mm

Data collection

Nonius KappaCCD diffractometer	10034 independent reflections
Radiation source: fine-focus sealed tube	7664 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.036
ϕ and ω scans	θmax = 27.5°, θmin = 1.9°
Absorption correction: empirical (using intensity measurements) multi-scan (hkl SCALEPACK; Otwinowski & Minor, 1997)	h = −16→16
Tmin = 0.622, Tmax = 0.718	k = −20→22
17828 measured reflections	l = −27→27

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)] = 0.039	H-atom parameters constrained
wR(F^2) = 0.104	w = 1/[σ^2(Fo^2) + (0.0545P)^2 + 1.2602P] where P = (Fo^2 + 2Fc^2)/3
S = 1.01	(Δ/σ)max = 0.009
10034 reflections	Δρmax = 0.88 e Å^−3
530 parameters	Δρmin = −0.47 e Å^−3
0 restraints	Extinction correction: SHELXL97, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0009 (2)

Special details

Experimental. Data was collected with ω and ϕ scans in 1.4º increments with 20 second exposures per degree. Crystal-to-detector distance was 30 mm.

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

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. H atoms were placed and refined with a riding model. U_iso values were fixed such that they were 1.2U_eq of heir parent atom U_eq for CH's and 1.5U_eq of their parent atom U_eq in case of methyl groups.

A dark-red crystal prism (0.37 x 0.30 x 0.25 mm) was mounted on a glass capillary in oil. Data were collected at 130 K with two sets of exposures. Crystal-to-detector distance was 30 mm and exposure time was 20 s for all sets. The scan width was 1.4o. Data collection was 91.8% complete. A total of 73464 partial and complete reflections were collected covering the indices, h = −16 to 16, k = −20 to 22, l = −27 to 27. 10034 reflections were symmetry independent and the R_int = 0.0386 indicated that the quality of data was excellent (the average value is 0.07). Indexing and unit cell refinement indicated a monoclinic P lattice. The space group was found to be P21/n. Analysis of the normalized structure factors indicated a centric cell favoring above symmetry. The data was integrated and scaled using hkl-SCALEPACK. Solution by direct methods (SIR92) produced a complete heavy atom phasing model consistent with the proposed structure. All hydrogen atoms were located using a riding model. All other non-hydrogen atoms were refined anisotropically by full-matrix least-squares.

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

	x	y	z	Uiso*/Ueq
C1	0.9667 (2)	0.30697 (18)	0.39408 (13)	0.0334 (6)
H1A	1.0206	0.2656	0.3938	0.050*
H1B	0.9982	0.3559	0.3805	0.050*
H1C	0.9057	0.2933	0.3654	0.050*
C2	0.8499 (2)	0.38461 (16)	0.46200 (13)	0.0296 (6)
H2A	0.8269	0.3915	0.5048	0.044*
H2B	0.7874	0.3738	0.4337	0.044*
H2C	0.8852	0.4321	0.4485	0.044*
C3	0.9284 (2)	0.31653 (14)	0.46048 (12)	0.0225 (5)
C4	1.0221 (2)	0.33193 (15)	0.50772 (12)	0.0253 (6)
C5	1.1022 (2)	0.39243 (17)	0.48935 (14)	0.0332 (6)
H5A	1.1347	0.4169	0.5272	0.050*
H5B	1.0656	0.4321	0.4631	0.050*
H5C	1.1580	0.3676	0.4658	0.050*
C6	1.1232 (2)	0.30685 (17)	0.60399 (13)	0.0309 (6)
H6A	1.1148	0.3560	0.6273	0.037*
H6B	1.1886	0.3112	0.5800	0.037*
C7	1.1361 (3)	0.2401 (2)	0.65020 (16)	0.0458 (8)
H7A	1.2064	0.2455	0.6735	0.055*
H7B	1.0801	0.2449	0.6810	0.055*
C8	1.1295 (2)	0.16095 (19)	0.62285 (18)	0.0471 (8)
H8A	1.1612	0.1616	0.5813	0.056*
H8B	1.1725	0.1250	0.6502	0.056*
C9	0.9857 (3)	0.0948 (2)	0.67323 (15)	0.0448 (8)
H9A	0.9871	0.1337	0.7068	0.067*
H9B	1.0356	0.0526	0.6850	0.067*
H9C	0.9131	0.0738	0.6669	0.067*
C10	1.0150 (3)	0.0684 (2)	0.56655 (17)	0.0501 (9)
H10A	0.9427	0.0465	0.5619	0.075*
H10B	1.0659	0.0273	0.5796	0.075*
H10C	1.0348	0.0902	0.5264	0.075*
C11	0.5805 (2)	0.40664 (15)	0.53167 (13)	0.0280 (6)
H11A	0.5650	0.4169	0.5754	0.042*
H11B	0.5633	0.4529	0.5063	0.042*
H11C	0.6566	0.3941	0.5292	0.042*
C12	0.3941 (2)	0.35100 (17)	0.51847 (14)	0.0314 (6)
H12A	0.3845	0.3522	0.5637	0.047*
H12B	0.3515	0.3085	0.4994	0.047*
H12C	0.3704	0.4005	0.4997	0.047*
C13	0.5126 (2)	0.33810 (14)	0.50689 (12)	0.0234 (5)
C14	0.5308 (2)	0.32868 (15)	0.43684 (12)	0.0239 (5)
C15	0.4697 (2)	0.38225 (17)	0.39203 (14)	0.0360 (7)
H15A	0.5160	0.3983	0.3587	0.054*
H15B	0.4465	0.4282	0.4148	0.054*
H15C	0.4068	0.3551	0.3734	0.054*
C16	0.6129 (2)	0.26907 (16)	0.35067 (12)	0.0298 (6)
H16A	0.6585	0.3115	0.3357	0.036*
H16B	0.5424	0.2722	0.3273	0.036*
C17	0.6646 (2)	0.19132 (17)	0.33799 (12)	0.0303 (6)
H17A	0.6655	0.1834	0.2921	0.036*
H17B	0.7398	0.1923	0.3550	0.036*
C18	0.6072 (2)	0.12338 (16)	0.36673 (12)	0.0274 (6)
H18A	0.5301	0.1360	0.3682	0.033*
H18B	0.6137	0.0772	0.3396	0.033*
C19	0.5698 (2)	0.05769 (15)	0.46319 (13)	0.0304 (6)
H19A	0.5990	0.0417	0.5048	0.046*
H19B	0.5514	0.0114	0.4380	0.046*
H19C	0.5053	0.0891	0.4677	0.046*
C20	0.7484 (2)	0.05602 (16)	0.42745 (13)	0.0302 (6)
H20A	0.7782	0.0444	0.4698	0.045*
H20B	0.8016	0.0844	0.4043	0.045*
H20C	0.7301	0.0074	0.4056	0.045*
C21	0.9021 (2)	0.37796 (18)	0.75315 (13)	0.0342 (7)
H21A	0.9735	0.3605	0.7425	0.051*
H21B	0.8769	0.3460	0.7874	0.051*
H21C	0.9057	0.4325	0.7664	0.051*
C22	0.8575 (2)	0.42471 (16)	0.64322 (13)	0.0318 (6)
H22A	0.8072	0.4198	0.6066	0.048*
H22B	0.9297	0.4109	0.6313	0.048*
H22C	0.8574	0.4784	0.6585	0.048*
C23	0.8238 (2)	0.37008 (15)	0.69511 (12)	0.0242 (5)
C24	0.7089 (2)	0.39015 (14)	0.71080 (11)	0.0233 (5)
C25	0.6944 (2)	0.46468 (17)	0.74656 (14)	0.0350 (7)
H25A	0.6346	0.4942	0.7268	0.052*
H25B	0.7601	0.4957	0.7461	0.052*
H25C	0.6791	0.4526	0.7900	0.052*
C26	0.5201 (2)	0.36215 (16)	0.70712 (13)	0.0284 (6)
H26A	0.4743	0.3664	0.6680	0.034*
H26B	0.5169	0.4122	0.7298	0.034*
C27	0.4786 (2)	0.29757 (16)	0.74759 (13)	0.0310 (6)
H27A	0.5300	0.2901	0.7840	0.037*
H27B	0.4099	0.3147	0.7641	0.037*
C28	0.4607 (2)	0.21967 (17)	0.71532 (14)	0.0328 (6)
H28A	0.4208	0.1858	0.7434	0.039*
H28B	0.4143	0.2282	0.6769	0.039*
C29	0.5204 (3)	0.10430 (17)	0.66542 (15)	0.0399 (7)
H29A	0.5824	0.0738	0.6536	0.060*
H29B	0.4761	0.1175	0.6277	0.060*
H29C	0.4781	0.0738	0.6939	0.060*
C30	0.6255 (3)	0.15490 (17)	0.75393 (13)	0.0372 (7)
H30A	0.6504	0.2020	0.7761	0.056*
H30B	0.6874	0.1249	0.7413	0.056*
H30C	0.5833	0.1233	0.7817	0.056*
N1	1.02912 (17)	0.29525 (12)	0.55992 (10)	0.0239 (5)
N2	1.01761 (17)	0.13105 (13)	0.61521 (11)	0.0293 (5)
N3	0.59843 (17)	0.27892 (12)	0.41873 (10)	0.0231 (5)
N4	0.65085 (17)	0.10418 (12)	0.43150 (10)	0.0237 (5)
N5	0.63132 (17)	0.34628 (12)	0.69169 (9)	0.0227 (5)
N6	0.55805 (18)	0.17692 (13)	0.69740 (10)	0.0281 (5)
S1	0.86286 (5)	0.22481 (4)	0.48113 (3)	0.02387 (15)
S2	0.55388 (5)	0.24750 (4)	0.54748 (3)	0.02311 (15)
S3	0.82855 (5)	0.26743 (4)	0.67086 (3)	0.02481 (15)
Cl1	0.74473 (5)	0.12599 (3)	0.58661 (3)	0.02454 (14)
P1	0.75822 (6)	0.50200 (4)	0.29631 (3)	0.02984 (17)
P2	0.75106 (6)	0.34968 (4)	0.92199 (3)	0.03084 (17)
F1	0.73349 (18)	0.59232 (11)	0.28793 (11)	0.0618 (6)
F2	0.88160 (16)	0.52131 (15)	0.30015 (15)	0.0893 (9)
F3	0.78256 (16)	0.41172 (10)	0.30634 (10)	0.0553 (5)
F4	0.63412 (15)	0.48251 (12)	0.29197 (11)	0.0620 (6)
F5	0.7629 (3)	0.48936 (16)	0.22307 (10)	0.0925 (9)
F6	0.7534 (2)	0.51355 (13)	0.36922 (9)	0.0700 (7)
F7	0.79751 (17)	0.37753 (14)	0.98919 (9)	0.0616 (6)
F8	0.69363 (15)	0.27808 (11)	0.95459 (10)	0.0493 (5)
F9	0.70487 (16)	0.32069 (13)	0.85453 (9)	0.0552 (5)
F10	0.80963 (15)	0.41993 (10)	0.88959 (8)	0.0441 (4)
F11	0.85548 (15)	0.29770 (11)	0.91440 (9)	0.0487 (5)
F12	0.64757 (17)	0.40070 (14)	0.92899 (12)	0.0710 (7)
Co1	0.91175 (3)	0.21837 (2)	0.584476 (16)	0.02201 (10)
Co2	0.67951 (3)	0.206318 (19)	0.481931 (16)	0.02123 (10)
Co3	0.65403 (3)	0.24544 (2)	0.641811 (15)	0.02170 (10)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C1	0.0330 (16)	0.0422 (17)	0.0255 (14)	−0.0010 (13)	0.0060 (12)	0.0007 (12)
C2	0.0301 (15)	0.0275 (14)	0.0310 (14)	0.0041 (11)	0.0006 (12)	0.0030 (11)
C3	0.0204 (13)	0.0234 (12)	0.0239 (13)	−0.0007 (10)	0.0025 (11)	0.0029 (10)
C4	0.0219 (13)	0.0249 (13)	0.0294 (14)	0.0030 (11)	0.0059 (11)	−0.0037 (11)
C5	0.0280 (15)	0.0298 (14)	0.0420 (17)	−0.0051 (12)	0.0028 (13)	0.0016 (13)
C6	0.0205 (13)	0.0403 (16)	0.0312 (15)	−0.0034 (12)	−0.0040 (12)	−0.0029 (12)
C7	0.0366 (18)	0.052 (2)	0.047 (2)	0.0045 (15)	−0.0142 (16)	−0.0025 (16)
C8	0.0302 (16)	0.0473 (19)	0.063 (2)	0.0055 (14)	−0.0069 (16)	0.0122 (17)
C9	0.0387 (18)	0.051 (2)	0.0456 (18)	0.0129 (15)	0.0078 (15)	0.0260 (16)
C10	0.049 (2)	0.0447 (19)	0.057 (2)	0.0245 (16)	0.0025 (17)	−0.0046 (16)
C11	0.0258 (14)	0.0224 (13)	0.0352 (15)	0.0030 (11)	−0.0033 (12)	−0.0025 (11)
C12	0.0216 (14)	0.0336 (15)	0.0389 (16)	0.0033 (11)	0.0019 (12)	−0.0025 (13)
C13	0.0232 (13)	0.0212 (12)	0.0255 (13)	0.0028 (10)	−0.0010 (11)	−0.0011 (10)
C14	0.0220 (13)	0.0218 (12)	0.0275 (13)	−0.0008 (10)	−0.0009 (11)	−0.0003 (11)
C15	0.0396 (17)	0.0323 (15)	0.0351 (16)	0.0095 (13)	−0.0072 (14)	0.0029 (13)
C16	0.0323 (15)	0.0347 (15)	0.0222 (13)	−0.0002 (12)	0.0014 (12)	0.0021 (11)
C17	0.0286 (15)	0.0420 (16)	0.0204 (13)	0.0009 (12)	0.0013 (11)	−0.0042 (12)
C18	0.0277 (14)	0.0309 (14)	0.0234 (13)	0.0022 (11)	−0.0005 (11)	−0.0071 (11)
C19	0.0319 (15)	0.0245 (13)	0.0349 (15)	−0.0037 (12)	0.0019 (12)	−0.0026 (12)
C20	0.0281 (15)	0.0274 (14)	0.0350 (15)	0.0076 (11)	0.0003 (12)	−0.0079 (12)
C21	0.0315 (16)	0.0422 (17)	0.0285 (15)	−0.0033 (13)	−0.0026 (13)	−0.0070 (13)
C22	0.0348 (16)	0.0304 (14)	0.0307 (14)	−0.0037 (12)	0.0056 (12)	−0.0035 (12)
C23	0.0270 (14)	0.0235 (13)	0.0221 (13)	−0.0028 (11)	0.0017 (11)	−0.0035 (10)
C24	0.0288 (14)	0.0219 (12)	0.0193 (12)	0.0010 (11)	0.0031 (11)	−0.0012 (10)
C25	0.0355 (16)	0.0296 (15)	0.0403 (16)	0.0032 (12)	0.0053 (13)	−0.0097 (13)
C26	0.0260 (14)	0.0295 (14)	0.0301 (14)	0.0058 (11)	0.0057 (12)	0.0009 (11)
C27	0.0264 (14)	0.0374 (15)	0.0298 (15)	0.0053 (12)	0.0080 (12)	0.0000 (12)
C28	0.0274 (15)	0.0364 (16)	0.0355 (16)	−0.0024 (12)	0.0109 (13)	0.0029 (13)
C29	0.0449 (18)	0.0295 (15)	0.0471 (18)	−0.0132 (14)	0.0190 (15)	−0.0035 (13)
C30	0.0454 (18)	0.0352 (16)	0.0316 (15)	0.0074 (14)	0.0072 (14)	0.0082 (13)
N1	0.0201 (11)	0.0288 (11)	0.0225 (11)	0.0011 (9)	0.0002 (9)	−0.0013 (9)
N2	0.0228 (12)	0.0345 (13)	0.0306 (12)	0.0034 (10)	0.0016 (10)	0.0090 (10)
N3	0.0220 (11)	0.0243 (11)	0.0228 (11)	−0.0018 (9)	0.0010 (9)	0.0001 (9)
N4	0.0223 (11)	0.0248 (11)	0.0239 (11)	0.0018 (9)	0.0002 (9)	−0.0034 (9)
N5	0.0228 (11)	0.0239 (11)	0.0217 (11)	0.0018 (9)	0.0047 (9)	−0.0014 (9)
N6	0.0292 (12)	0.0274 (11)	0.0284 (12)	−0.0031 (10)	0.0090 (10)	0.0014 (10)
S1	0.0214 (3)	0.0253 (3)	0.0246 (3)	−0.0020 (3)	−0.0016 (3)	0.0025 (3)
S2	0.0247 (3)	0.0219 (3)	0.0227 (3)	0.0027 (3)	0.0011 (3)	−0.0012 (2)
S3	0.0219 (3)	0.0252 (3)	0.0277 (3)	0.0004 (3)	0.0052 (3)	−0.0043 (3)
Cl1	0.0255 (3)	0.0215 (3)	0.0269 (3)	0.0015 (2)	0.0033 (3)	−0.0002 (2)
P1	0.0290 (4)	0.0296 (4)	0.0307 (4)	−0.0039 (3)	−0.0004 (3)	0.0029 (3)
P2	0.0284 (4)	0.0322 (4)	0.0322 (4)	−0.0011 (3)	0.0043 (3)	0.0026 (3)
F1	0.0713 (14)	0.0325 (10)	0.0800 (15)	−0.0005 (10)	−0.0114 (12)	0.0191 (10)
F2	0.0311 (11)	0.0723 (16)	0.165 (3)	−0.0157 (11)	0.0127 (13)	−0.0397 (17)
F3	0.0580 (12)	0.0315 (10)	0.0762 (14)	0.0047 (9)	0.0016 (11)	−0.0032 (9)
F4	0.0313 (10)	0.0554 (12)	0.0985 (17)	−0.0037 (9)	−0.0030 (10)	−0.0002 (12)
F5	0.151 (3)	0.0930 (19)	0.0351 (11)	−0.0527 (18)	0.0221 (14)	−0.0051 (12)
F6	0.123 (2)	0.0527 (13)	0.0325 (10)	0.0022 (13)	−0.0079 (12)	−0.0004 (9)
F7	0.0722 (14)	0.0794 (15)	0.0338 (10)	−0.0267 (12)	0.0084 (10)	−0.0075 (10)
F8	0.0396 (10)	0.0487 (11)	0.0595 (12)	−0.0142 (9)	0.0029 (9)	0.0160 (9)
F9	0.0550 (12)	0.0674 (13)	0.0419 (11)	−0.0208 (10)	−0.0101 (9)	0.0013 (10)
F10	0.0532 (11)	0.0343 (9)	0.0453 (10)	−0.0076 (8)	0.0076 (9)	0.0050 (8)
F11	0.0385 (10)	0.0440 (10)	0.0644 (13)	0.0101 (8)	0.0116 (9)	0.0087 (9)
F12	0.0511 (13)	0.0688 (14)	0.0958 (17)	0.0266 (11)	0.0293 (12)	0.0193 (13)
Co1	0.01922 (19)	0.02627 (19)	0.02064 (18)	0.00297 (14)	0.00191 (14)	0.00231 (14)
Co2	0.01941 (18)	0.02130 (17)	0.02291 (19)	0.00180 (13)	0.00040 (14)	−0.00296 (13)
Co3	0.02137 (19)	0.02332 (18)	0.02055 (18)	−0.00107 (14)	0.00259 (14)	−0.00119 (13)

Geometric parameters (Å, º)

C1—C3	1.529 (4)	C20—H20A	0.9800
C1—H1A	0.9800	C20—H20B	0.9800
C1—H1B	0.9800	C20—H20C	0.9800
C1—H1C	0.9800	C21—C23	1.543 (4)
C2—C3	1.529 (4)	C21—H21A	0.9800
C2—H2A	0.9800	C21—H21B	0.9800
C2—H2B	0.9800	C21—H21C	0.9800
C2—H2C	0.9800	C22—C23	1.529 (4)
C3—C4	1.527 (4)	C22—H22A	0.9800
C3—S1	1.842 (3)	C22—H22B	0.9800
C4—N1	1.279 (3)	C22—H22C	0.9800
C4—C5	1.510 (4)	C23—C24	1.531 (4)
C5—H5A	0.9800	C23—S3	1.842 (3)
C5—H5B	0.9800	C24—N5	1.279 (3)
C5—H5C	0.9800	C24—C25	1.508 (4)
C6—N1	1.480 (3)	C25—H25A	0.9800
C6—C7	1.517 (4)	C25—H25B	0.9800
C6—H6A	0.9900	C25—H25C	0.9800
C6—H6B	0.9900	C26—N5	1.471 (3)
C7—C8	1.481 (5)	C26—C27	1.516 (4)
C7—H7A	0.9900	C26—H26A	0.9900
C7—H7B	0.9900	C26—H26B	0.9900
C8—N2	1.491 (4)	C27—C28	1.518 (4)
C8—H8A	0.9900	C27—H27A	0.9900
C8—H8B	0.9900	C27—H27B	0.9900
C9—N2	1.461 (4)	C28—N6	1.489 (4)
C9—H9A	0.9800	C28—H28A	0.9900
C9—H9B	0.9800	C28—H28B	0.9900
C9—H9C	0.9800	C29—N6	1.488 (4)
C10—N2	1.496 (4)	C29—H29A	0.9800
C10—H10A	0.9800	C29—H29B	0.9800
C10—H10B	0.9800	C29—H29C	0.9800
C10—H10C	0.9800	C30—N6	1.483 (4)
C11—C13	1.530 (3)	C30—H30A	0.9800
C11—H11A	0.9800	C30—H30B	0.9800
C11—H11B	0.9800	C30—H30C	0.9800
C11—H11C	0.9800	N1—Co1	2.064 (2)
C12—C13	1.532 (4)	N2—Co1	2.084 (2)
C12—H12A	0.9800	N3—Co2	2.064 (2)
C12—H12B	0.9800	N4—Co2	2.081 (2)
C12—H12C	0.9800	N5—Co3	2.063 (2)
C13—C14	1.533 (4)	N6—Co3	2.095 (2)
C13—S2	1.843 (3)	S1—Co1	2.2593 (7)
C14—N3	1.277 (3)	S1—Co2	2.3152 (7)
C14—C15	1.506 (4)	S2—Co2	2.2723 (7)
C15—H15A	0.9800	S2—Co3	2.3128 (7)
C15—H15B	0.9800	S3—Co3	2.2676 (7)
C15—H15C	0.9800	S3—Co1	2.3237 (7)
C16—N3	1.483 (3)	Cl1—Co1	2.6264 (7)
C16—C17	1.516 (4)	Cl1—Co3	2.6535 (7)
C16—H16A	0.9900	Cl1—Co2	2.7143 (7)
C16—H16B	0.9900	P1—F6	1.573 (2)
C17—C18	1.518 (4)	P1—F2	1.576 (2)
C17—H17A	0.9900	P1—F5	1.582 (2)
C17—H17B	0.9900	P1—F4	1.585 (2)
C18—N4	1.495 (3)	P1—F1	1.592 (2)
C18—H18A	0.9900	P1—F3	1.5950 (19)
C18—H18B	0.9900	P2—F12	1.577 (2)
C19—N4	1.483 (3)	P2—F7	1.592 (2)
C19—H19A	0.9800	P2—F10	1.5905 (18)
C19—H19B	0.9800	P2—F11	1.5978 (19)
C19—H19C	0.9800	P2—F8	1.6034 (19)
C20—N4	1.481 (3)	P2—F9	1.602 (2)
C3—C1—H1A	109.5	C24—C25—H25A	109.5
C3—C1—H1B	109.5	C24—C25—H25B	109.5
H1A—C1—H1B	109.5	H25A—C25—H25B	109.5
C3—C1—H1C	109.5	C24—C25—H25C	109.5
H1A—C1—H1C	109.5	H25A—C25—H25C	109.5
H1B—C1—H1C	109.5	H25B—C25—H25C	109.5
C3—C2—H2A	109.5	N5—C26—C27	110.4 (2)
C3—C2—H2B	109.5	N5—C26—H26A	109.6
H2A—C2—H2B	109.5	C27—C26—H26A	109.6
C3—C2—H2C	109.5	N5—C26—H26B	109.6
H2A—C2—H2C	109.5	C27—C26—H26B	109.6
H2B—C2—H2C	109.5	H26A—C26—H26B	108.1
C4—C3—C1	111.3 (2)	C28—C27—C26	115.8 (2)
C4—C3—C2	108.9 (2)	C28—C27—H27A	108.3
C1—C3—C2	109.6 (2)	C26—C27—H27A	108.3
C4—C3—S1	109.03 (17)	C28—C27—H27B	108.3
C1—C3—S1	107.15 (18)	C26—C27—H27B	108.3
C2—C3—S1	110.90 (17)	H27A—C27—H27B	107.4
N1—C4—C5	123.4 (2)	N6—C28—C27	116.7 (2)
N1—C4—C3	120.2 (2)	N6—C28—H28A	108.1
C5—C4—C3	116.3 (2)	C27—C28—H28A	108.1
C4—C5—H5A	109.5	N6—C28—H28B	108.1
C4—C5—H5B	109.5	C27—C28—H28B	108.1
H5A—C5—H5B	109.5	H28A—C28—H28B	107.3
C4—C5—H5C	109.5	N6—C29—H29A	109.5
H5A—C5—H5C	109.5	N6—C29—H29B	109.5
H5B—C5—H5C	109.5	H29A—C29—H29B	109.5
N1—C6—C7	111.3 (2)	N6—C29—H29C	109.5
N1—C6—H6A	109.4	H29A—C29—H29C	109.5
C7—C6—H6A	109.4	H29B—C29—H29C	109.5
N1—C6—H6B	109.4	N6—C30—H30A	109.5
C7—C6—H6B	109.4	N6—C30—H30B	109.5
H6A—C6—H6B	108.0	H30A—C30—H30B	109.5
C8—C7—C6	116.0 (3)	N6—C30—H30C	109.5
C8—C7—H7A	108.3	H30A—C30—H30C	109.5
C6—C7—H7A	108.3	H30B—C30—H30C	109.5
C8—C7—H7B	108.3	C4—N1—C6	120.1 (2)
C6—C7—H7B	108.3	C4—N1—Co1	121.40 (18)
H7A—C7—H7B	107.4	C6—N1—Co1	118.48 (17)
N2—C8—C7	113.0 (3)	C9—N2—C8	110.6 (2)
N2—C8—H8A	109.0	C9—N2—C10	106.5 (3)
C7—C8—H8A	109.0	C8—N2—C10	108.0 (2)
N2—C8—H8B	109.0	C9—N2—Co1	112.12 (17)
C7—C8—H8B	109.0	C8—N2—Co1	111.21 (18)
H8A—C8—H8B	107.8	C10—N2—Co1	108.16 (17)
N2—C9—H9A	109.5	C14—N3—C16	119.4 (2)
N2—C9—H9B	109.5	C14—N3—Co2	121.17 (17)
H9A—C9—H9B	109.5	C16—N3—Co2	119.30 (16)
N2—C9—H9C	109.5	C19—N4—C20	108.1 (2)
H9A—C9—H9C	109.5	C19—N4—C18	108.4 (2)
H9B—C9—H9C	109.5	C20—N4—C18	109.3 (2)
N2—C10—H10A	109.5	C19—N4—Co2	108.81 (15)
N2—C10—H10B	109.5	C20—N4—Co2	112.52 (16)
H10A—C10—H10B	109.5	C18—N4—Co2	109.60 (15)
N2—C10—H10C	109.5	C24—N5—C26	121.9 (2)
H10A—C10—H10C	109.5	C24—N5—Co3	122.53 (17)
H10B—C10—H10C	109.5	C26—N5—Co3	115.44 (16)
C13—C11—H11A	109.5	C30—N6—C28	110.7 (2)
C13—C11—H11B	109.5	C30—N6—C29	108.1 (2)
H11A—C11—H11B	109.5	C28—N6—C29	106.9 (2)
C13—C11—H11C	109.5	C30—N6—Co3	106.63 (17)
H11A—C11—H11C	109.5	C28—N6—Co3	111.62 (17)
H11B—C11—H11C	109.5	C29—N6—Co3	112.91 (17)
C13—C12—H12A	109.5	C3—S1—Co1	100.08 (8)
C13—C12—H12B	109.5	C3—S1—Co2	124.94 (8)
H12A—C12—H12B	109.5	Co1—S1—Co2	101.64 (3)
C13—C12—H12C	109.5	C13—S2—Co2	99.18 (8)
H12A—C12—H12C	109.5	C13—S2—Co3	123.14 (8)
H12B—C12—H12C	109.5	Co2—S2—Co3	99.86 (3)
C11—C13—C12	110.8 (2)	C23—S3—Co3	101.03 (9)
C11—C13—C14	108.0 (2)	C23—S3—Co1	126.43 (9)
C12—C13—C14	111.6 (2)	Co3—S3—Co1	100.82 (3)
C11—C13—S2	110.69 (17)	Co1—Cl1—Co3	84.16 (2)
C12—C13—S2	107.19 (18)	Co1—Cl1—Co2	83.19 (2)
C14—C13—S2	108.44 (17)	Co3—Cl1—Co2	81.633 (19)
N3—C14—C15	122.6 (2)	F6—P1—F2	90.67 (15)
N3—C14—C13	120.1 (2)	F6—P1—F5	179.35 (14)
C15—C14—C13	117.2 (2)	F2—P1—F5	89.56 (16)
C14—C15—H15A	109.5	F6—P1—F4	89.70 (14)
C14—C15—H15B	109.5	F2—P1—F4	179.63 (16)
H15A—C15—H15B	109.5	F5—P1—F4	90.07 (14)
C14—C15—H15C	109.5	F6—P1—F1	88.30 (12)
H15A—C15—H15C	109.5	F2—P1—F1	89.07 (13)
H15B—C15—H15C	109.5	F5—P1—F1	92.32 (14)
N3—C16—C17	110.6 (2)	F4—P1—F1	90.94 (12)
N3—C16—H16A	109.5	F6—P1—F3	90.43 (12)
C17—C16—H16A	109.5	F2—P1—F3	91.09 (13)
N3—C16—H16B	109.5	F5—P1—F3	88.96 (13)
C17—C16—H16B	109.5	F4—P1—F3	88.90 (11)
H16A—C16—H16B	108.1	F1—P1—F3	178.72 (13)
C18—C17—C16	113.1 (2)	F12—P2—F7	90.48 (14)
C18—C17—H17A	109.0	F12—P2—F10	91.01 (11)
C16—C17—H17A	109.0	F7—P2—F10	90.50 (11)
C18—C17—H17B	109.0	F12—P2—F11	179.55 (12)
C16—C17—H17B	109.0	F7—P2—F11	89.97 (12)
H17A—C17—H17B	107.8	F10—P2—F11	89.04 (10)
N4—C18—C17	112.8 (2)	F12—P2—F8	89.87 (11)
N4—C18—H18A	109.0	F7—P2—F8	89.46 (11)
C17—C18—H18A	109.0	F10—P2—F8	179.12 (11)
N4—C18—H18B	109.0	F11—P2—F8	90.08 (10)
C17—C18—H18B	109.0	F12—P2—F9	90.04 (13)
H18A—C18—H18B	107.8	F7—P2—F9	179.35 (13)
N4—C19—H19A	109.5	F10—P2—F9	89.89 (10)
N4—C19—H19B	109.5	F11—P2—F9	89.51 (11)
H19A—C19—H19B	109.5	F8—P2—F9	90.15 (11)
N4—C19—H19C	109.5	N1—Co1—N2	95.38 (9)
H19A—C19—H19C	109.5	N1—Co1—S1	83.07 (6)
H19B—C19—H19C	109.5	N2—Co1—S1	118.44 (7)
N4—C20—H20A	109.5	N1—Co1—S3	108.87 (6)
N4—C20—H20B	109.5	N2—Co1—S3	108.42 (7)
H20A—C20—H20B	109.5	S1—Co1—S3	130.36 (3)
N4—C20—H20C	109.5	N1—Co1—Cl1	165.68 (6)
H20A—C20—H20C	109.5	N2—Co1—Cl1	92.88 (7)
H20B—C20—H20C	109.5	S1—Co1—Cl1	82.71 (2)
C23—C21—H21A	109.5	S3—Co1—Cl1	79.38 (2)
C23—C21—H21B	109.5	N3—Co2—N4	96.22 (8)
H21A—C21—H21B	109.5	N3—Co2—S2	83.23 (6)
C23—C21—H21C	109.5	N4—Co2—S2	118.43 (6)
H21A—C21—H21C	109.5	N3—Co2—S1	111.32 (6)
H21B—C21—H21C	109.5	N4—Co2—S1	104.78 (6)
C23—C22—H22A	109.5	S2—Co2—S1	132.79 (3)
C23—C22—H22B	109.5	N3—Co2—Cl1	163.96 (6)
H22A—C22—H22B	109.5	N4—Co2—Cl1	91.80 (6)
C23—C22—H22C	109.5	S2—Co2—Cl1	80.74 (2)
H22A—C22—H22C	109.5	S1—Co2—Cl1	79.77 (2)
H22B—C22—H22C	109.5	N5—Co3—N6	94.70 (8)
C22—C23—C24	108.6 (2)	N5—Co3—S3	82.87 (6)
C22—C23—C21	109.8 (2)	N6—Co3—S3	120.73 (7)
C24—C23—C21	111.5 (2)	N5—Co3—S2	110.67 (6)
C22—C23—S3	111.80 (18)	N6—Co3—S2	101.64 (7)
C24—C23—S3	108.82 (17)	S3—Co3—S2	134.68 (3)
C21—C23—S3	106.31 (18)	N5—Co3—Cl1	162.62 (6)
N5—C24—C25	123.6 (2)	N6—Co3—Cl1	95.00 (6)
N5—C24—C23	120.1 (2)	S3—Co3—Cl1	79.78 (2)
C25—C24—C23	116.3 (2)	S2—Co3—Cl1	81.36 (2)
C1—C3—C4—N1	−134.2 (3)	C23—S3—Co1—S1	−74.06 (11)
C2—C3—C4—N1	104.9 (3)	Co3—S3—Co1—S1	38.48 (4)
S1—C3—C4—N1	−16.2 (3)	C23—S3—Co1—Cl1	−144.87 (11)
C1—C3—C4—C5	46.7 (3)	Co3—S3—Co1—Cl1	−32.33 (2)
C2—C3—C4—C5	−74.2 (3)	Co3—Cl1—Co1—N1	−99.8 (3)
S1—C3—C4—C5	164.71 (19)	Co2—Cl1—Co1—N1	−17.5 (3)
N1—C6—C7—C8	48.1 (4)	Co3—Cl1—Co1—N2	135.02 (7)
C6—C7—C8—N2	−86.7 (4)	Co2—Cl1—Co1—N2	−142.74 (7)
C11—C13—C14—N3	97.1 (3)	Co3—Cl1—Co1—S1	−106.66 (2)
C12—C13—C14—N3	−140.7 (2)	Co2—Cl1—Co1—S1	−24.43 (2)
S2—C13—C14—N3	−22.9 (3)	Co3—Cl1—Co1—S3	26.82 (2)
C11—C13—C14—C15	−80.4 (3)	Co2—Cl1—Co1—S3	109.06 (2)
C12—C13—C14—C15	41.7 (3)	C14—N3—Co2—N4	131.9 (2)
S2—C13—C14—C15	159.6 (2)	C16—N3—Co2—N4	−43.47 (19)
N3—C16—C17—C18	52.0 (3)	C14—N3—Co2—S2	13.89 (19)
C16—C17—C18—N4	−91.1 (3)	C16—N3—Co2—S2	−161.46 (18)
C22—C23—C24—N5	104.6 (3)	C14—N3—Co2—S1	−119.58 (19)
C21—C23—C24—N5	−134.3 (3)	C16—N3—Co2—S1	65.07 (19)
S3—C23—C24—N5	−17.3 (3)	C14—N3—Co2—Cl1	12.3 (4)
C22—C23—C24—C25	−72.8 (3)	C16—N3—Co2—Cl1	−163.01 (17)
C21—C23—C24—C25	48.4 (3)	C19—N4—Co2—N3	−106.41 (16)
S3—C23—C24—C25	165.31 (19)	C20—N4—Co2—N3	133.84 (17)
N5—C26—C27—C28	−69.2 (3)	C18—N4—Co2—N3	12.03 (17)
C26—C27—C28—N6	68.8 (3)	C19—N4—Co2—S2	−20.76 (18)
C5—C4—N1—C6	−4.6 (4)	C20—N4—Co2—S2	−140.51 (15)
C3—C4—N1—C6	176.4 (2)	C18—N4—Co2—S2	97.68 (15)
C5—C4—N1—Co1	176.02 (19)	C19—N4—Co2—S1	139.58 (15)
C3—C4—N1—Co1	−3.0 (3)	C20—N4—Co2—S1	19.82 (18)
C7—C6—N1—C4	−160.0 (3)	C18—N4—Co2—S1	−101.99 (15)
C7—C6—N1—Co1	19.5 (3)	C19—N4—Co2—Cl1	59.68 (16)
C7—C8—N2—C9	−85.5 (3)	C20—N4—Co2—Cl1	−60.08 (17)
C7—C8—N2—C10	158.3 (3)	C18—N4—Co2—Cl1	178.11 (15)
C7—C8—N2—Co1	39.8 (3)	C13—S2—Co2—N3	−20.99 (10)
C15—C14—N3—C16	−4.3 (4)	Co3—S2—Co2—N3	−147.16 (6)
C13—C14—N3—C16	178.3 (2)	C13—S2—Co2—N4	−114.42 (10)
C15—C14—N3—Co2	−179.6 (2)	Co3—S2—Co2—N4	119.41 (7)
C13—C14—N3—Co2	3.0 (3)	C13—S2—Co2—S1	91.90 (9)
C17—C16—N3—C14	−160.3 (2)	Co3—S2—Co2—S1	−34.27 (4)
C17—C16—N3—Co2	15.1 (3)	C13—S2—Co2—Cl1	158.57 (8)
C17—C18—N4—C19	160.9 (2)	Co3—S2—Co2—Cl1	32.40 (2)
C17—C18—N4—C20	−81.4 (3)	C3—S1—Co2—N3	28.07 (12)
C17—C18—N4—Co2	42.3 (2)	Co1—S1—Co2—N3	139.30 (7)
C25—C24—N5—C26	−4.5 (4)	C3—S1—Co2—N4	130.97 (12)
C23—C24—N5—C26	178.3 (2)	Co1—S1—Co2—N4	−117.81 (6)
C25—C24—N5—Co3	179.13 (19)	C3—S1—Co2—S2	−72.81 (11)
C23—C24—N5—Co3	2.0 (3)	Co1—S1—Co2—S2	38.41 (4)
C27—C26—N5—C24	−115.6 (3)	C3—S1—Co2—Cl1	−139.87 (10)
C27—C26—N5—Co3	60.9 (2)	Co1—S1—Co2—Cl1	−28.65 (2)
C27—C28—N6—C30	64.0 (3)	Co1—Cl1—Co2—N3	−111.2 (2)
C27—C28—N6—C29	−178.5 (2)	Co3—Cl1—Co2—N3	−26.2 (2)
C27—C28—N6—Co3	−54.6 (3)	Co1—Cl1—Co2—N4	128.69 (6)
C4—C3—S1—Co1	23.97 (17)	Co3—Cl1—Co2—N4	−146.24 (6)
C1—C3—S1—Co1	144.54 (16)	Co1—Cl1—Co2—S2	−112.78 (2)
C2—C3—S1—Co1	−95.90 (17)	Co3—Cl1—Co2—S2	−27.72 (2)
C4—C3—S1—Co2	135.95 (14)	Co1—Cl1—Co2—S1	24.00 (2)
C1—C3—S1—Co2	−103.48 (17)	Co3—Cl1—Co2—S1	109.07 (2)
C2—C3—S1—Co2	16.1 (2)	C24—N5—Co3—N6	131.4 (2)
C11—C13—S2—Co2	−90.49 (17)	C26—N5—Co3—N6	−45.17 (18)
C12—C13—S2—Co2	148.52 (16)	C24—N5—Co3—S3	10.93 (19)
C14—C13—S2—Co2	27.86 (17)	C26—N5—Co3—S3	−165.60 (17)
C11—C13—S2—Co3	17.7 (2)	C24—N5—Co3—S2	−124.32 (19)
C12—C13—S2—Co3	−103.25 (17)	C26—N5—Co3—S2	59.15 (17)
C14—C13—S2—Co3	136.09 (14)	C24—N5—Co3—Cl1	7.6 (4)
C22—C23—S3—Co3	−98.37 (18)	C26—N5—Co3—Cl1	−168.95 (15)
C24—C23—S3—Co3	21.55 (17)	C30—N6—Co3—N5	−81.55 (18)
C21—C23—S3—Co3	141.78 (16)	C28—N6—Co3—N5	39.49 (18)
C22—C23—S3—Co1	14.1 (2)	C29—N6—Co3—N5	159.9 (2)
C24—C23—S3—Co1	133.99 (14)	C30—N6—Co3—S3	2.9 (2)
C21—C23—S3—Co1	−105.79 (17)	C28—N6—Co3—S3	123.98 (16)
C4—N1—Co1—N2	134.3 (2)	C29—N6—Co3—S3	−115.61 (18)
C6—N1—Co1—N2	−45.2 (2)	C30—N6—Co3—S2	166.20 (16)
C4—N1—Co1—S1	16.21 (19)	C28—N6—Co3—S2	−72.76 (18)
C6—N1—Co1—S1	−163.21 (19)	C29—N6—Co3—S2	47.6 (2)
C4—N1—Co1—S3	−114.17 (19)	C30—N6—Co3—Cl1	84.02 (17)
C6—N1—Co1—S3	66.41 (19)	C28—N6—Co3—Cl1	−154.94 (17)
C4—N1—Co1—Cl1	9.3 (4)	C29—N6—Co3—Cl1	−34.54 (19)
C6—N1—Co1—Cl1	−170.10 (19)	C23—S3—Co3—N5	−16.29 (10)
C9—N2—Co1—N1	137.8 (2)	Co1—S3—Co3—N5	−147.07 (6)
C8—N2—Co1—N1	13.4 (2)	C23—S3—Co3—N6	−107.54 (11)
C10—N2—Co1—N1	−105.0 (2)	Co1—S3—Co3—N6	121.68 (8)
C9—N2—Co1—S1	−137.14 (19)	C23—S3—Co3—S2	95.84 (9)
C8—N2—Co1—S1	98.4 (2)	Co1—S3—Co3—S2	−34.95 (5)
C10—N2—Co1—S1	−20.0 (2)	C23—S3—Co3—Cl1	162.70 (9)
C9—N2—Co1—S3	25.9 (2)	Co1—S3—Co3—Cl1	31.91 (2)
C8—N2—Co1—S3	−98.5 (2)	C13—S2—Co3—N5	25.95 (12)
C10—N2—Co1—S3	143.01 (18)	Co2—S2—Co3—N5	133.83 (6)
C9—N2—Co1—Cl1	−53.9 (2)	C13—S2—Co3—N6	125.58 (12)
C8—N2—Co1—Cl1	−178.3 (2)	Co2—S2—Co3—N6	−126.54 (7)
C10—N2—Co1—Cl1	63.25 (19)	C13—S2—Co3—S3	−74.80 (11)
C3—S1—Co1—N1	−19.75 (10)	Co2—S2—Co3—S3	33.08 (5)
Co2—S1—Co1—N1	−148.84 (6)	C13—S2—Co3—Cl1	−141.05 (10)
C3—S1—Co1—N2	−112.13 (11)	Co2—S2—Co3—Cl1	−33.18 (2)
Co2—S1—Co1—N2	118.78 (7)	Co1—Cl1—Co3—N5	−24.1 (2)
C3—S1—Co1—S3	89.17 (9)	Co2—Cl1—Co3—N5	−108.1 (2)
Co2—S1—Co1—S3	−39.92 (4)	Co1—Cl1—Co3—N6	−147.87 (6)
C3—S1—Co1—Cl1	158.54 (8)	Co2—Cl1—Co3—N6	128.18 (6)
Co2—S1—Co1—Cl1	29.44 (2)	Co1—Cl1—Co3—S3	−27.50 (2)
C23—S3—Co1—N1	23.02 (13)	Co2—Cl1—Co3—S3	−111.45 (2)
Co3—S3—Co1—N1	135.55 (7)	Co1—Cl1—Co3—S2	111.09 (2)
C23—S3—Co1—N2	125.62 (13)	Co2—Cl1—Co3—S2	27.14 (2)
Co3—S3—Co1—N2	−121.85 (7)