Cobaltocenium trifluoro­methane­sulfonate

In the structure of cobaltocenium trifluoro­methane­sulfonate [systematic name: bis­(η⁵-cyclo­penta­dien­yl)cobalt(III) tri­fluoro­methane­sulfonate], [Co(C₅H₅)₂](CF₃O₃S) or [CoCp₂][OTf], the asymmetric unit contains three independent anions, together with two full and two half-cations. Two of the cations reside on crystallographic inversion centers.

Key indicators

• Single-crystal X-ray study
• T = 173 K
• Mean [sigma](C-C) = 0.012 Å
• R factor = 0.072
• wR factor = 0.212
• Data-to-parameter ratio = 15.9

checkCIF/PLATON results

No syntax errors found



Datablock: I


Alert level B
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for        Co4

Alert level C
RINTA01_ALERT_3_C  The value of Rint is greater than 0.10
            Rint given   0.111
PLAT020_ALERT_3_C The value of Rint is greater than 0.10 .........       0.11
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         47 Perc.
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.88
PLAT213_ALERT_2_C Atom C44     has ADP max/min Ratio .............       3.30 prolat
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C41
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C43
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C45
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Co1
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C3
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.07
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.14
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.75
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         12
PLAT431_ALERT_2_C Short Inter HL..A Contact  F23    ..  O32     ..       2.92 Ang.

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
  15 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  11 ALERT type 2 Indicator that the structure model may be wrong or deficient
   5 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion

---

S1. Comment

The title compound, (I), was isolated in quantitative yield from the reaction of cobaltocene with indium(I) trifluoromethanesulfonate ([In][OTf]) during an investigation of the reactivity of the indium reagent with some transition metal metallocenes (Andrews & Macdonald, 2005).

The asymmetric unit of (I) contains three anions, in which all atoms are located in general positions, and a total of three [CoCp₂] cations. Two of the [CoCp₂] cations (containing atoms Co1 and Co2) are also situated in general positions, and two half cations (containing atoms Co3 and Co4) are located such that the Co atoms are on the inversion centers at (0,1/2,0) (atom Co3) and (0,0,0) (atom Co4). The contents of the asymmetric unit (including complete symmetry-generated cations) are depicted in Fig. 1, and a diagram of the packing of the unit cell is presented in Fig. 2.

The indistinguishable S—O distances within each of the trifluoromethanesulfonate anions are consistent with the completely delocalized structure expected for an unperturbed `ionic' trifluoromethanesulfonate anion. While the Cp-centroid—Co distances are the same for all of the cations [1.629 (4)–1.637 (4) Å], the conformations of the cations differ slightly depending on their locations in the unit cell. The cations containing atoms Co3 and Co4 have perfectly staggered Cp rings enforced by the 1 symmetry. In contrast, the cations containing atoms Co1 and Co2 are not subject to symmetry constraints and the rings are rotated slightly (ca 10° for Co1 and ca 7° for Co2) from a staggered arrangement. Overall, the structures of both components are consistent with those reported previously in the Cambridge Structural Database (Version?; Allen, 2002).

In the crystal structure of (I), there are numerous weak C—H···O interactions (Table 2).

S2. Experimental

The title salt, bis(η⁵-cyclopentadienyl)cobalt(III) trifluoromethanesulfonate, was obtained in quantitative yield from the reaction of bis(η⁵-cyclopentadienyl)cobalt(II) with indium(I) trifluoromethanesulfonate, as described previously by Andrews & Macdonald (2005). Suitable crystals of (I) were obtained by the slow evaporation of a dichloromethane solution of the salt in a nitrogen-filled glove box.

S3. Refinement

H atoms were placed in calculated positions, with C—H distances of 0.95 Å. They were included in the refinement in the riding-model approximation, with U_iso(H) = 1.2U_eq(C). The top three peaks in the final difference Fourier map are all above 1.0 e A⁻³. The most intense peak has an electron density of 1.39 e A⁻³ and is located 1.045 Å from atom Co3 toward the centroid of the C₅H₅ ring. Similarly, the other two peaks are located at distances of 1.085 Å (1.28 e A⁻³) and 1.043 Å (1.25 e A⁻³) from atom Co1 and are also oriented toward the centroids of the C₅H₅ rings labeled C16–C110 and C11–C15, respectively.

Computing details

Data collection: SMART (Bruker, 1997); cell refinement: SMART; data reduction: SAINT-Plus (Bruker, 1997); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1997); software used to prepare material for publication: SHELXTL, PLATON (Spek, 2003) and WinGX (Farrugia, 1999).

Figures

	Fig. 1. A view of the contents of the asymmetric unit of (I). Displacement ellipsoids are drawn at the 50% probability level. Note that the symmetry-related C5H5 groups on Co3 and Co4 are included.
	Fig. 2. A plot, viewed down the b axis, of the unit-cell contents of (I). H atoms have been omitted for clarity.

Bis(η⁵-cyclopentadienyl)cobalt(III) trifluoromethanesulfonate

Crystal data

[Co(C5H5)2](CF3O3S)	F(000) = 2040
Mr = 338.18	Dx = 1.856 Mg m^−3
Monoclinic, P21/c	Melting point: 330-331 C K
Hall symbol: -P 2ybc	Mo Kα radiation, λ = 0.71073 Å
a = 16.326 (3) Å	Cell parameters from 5242 reflections
b = 13.119 (3) Å	θ = 3.0–27.3°
c = 17.644 (3) Å	µ = 1.63 mm^−1
β = 106.069 (2)°	T = 173 K
V = 3631.4 (12) Å^3	Block, yellow
Z = 12	0.40 × 0.30 × 0.30 mm

Data collection

Bruker SMART CCD area-detector diffractometer	8245 independent reflections
Radiation source: fine-focus sealed tube	3836 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.111
ϕ and ω scans	θmax = 27.5°, θmin = 1.3°
Absorption correction: multi-scan (SADABS; Bruker, 2000)	h = −20→20
Tmin = 0.466, Tmax = 0.614	k = −16→17
39731 measured reflections	l = −22→22

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.072	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.212	H-atom parameters constrained
S = 1.04	w = 1/[σ^2(Fo^2) + (0.077P)^2 + 11.3024P] where P = (Fo^2 + 2Fc^2)/3
8245 reflections	(Δ/σ)max = 0.001
517 parameters	Δρmax = 1.39 e Å^−3
0 restraints	Δρmin = −0.73 e Å^−3

Special details

Experimental. The data crystal was coated in mineral oil and placed rapidly in the cold nitrogen stream of the Kryoflex low-temperature device.

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

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

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

	x	y	z	Uiso*/Ueq
Co1	0.66588 (6)	0.01084 (7)	0.16604 (6)	0.0215 (2)
C11	0.5992 (5)	0.0003 (5)	0.0507 (4)	0.0311 (19)
H11	0.6228	−0.0017	0.0073	0.037*
C12	0.5818 (5)	−0.0842 (5)	0.0936 (4)	0.0317 (19)
H12	0.5909	−0.1537	0.0833	0.038*
C13	0.5492 (5)	−0.0484 (7)	0.1535 (5)	0.041 (2)
H13	0.5331	−0.0893	0.1915	0.050*
C14	0.5440 (5)	0.0585 (6)	0.1487 (5)	0.035 (2)
H14	0.5236	0.1023	0.1823	0.042*
C15	0.5744 (5)	0.0884 (6)	0.0852 (4)	0.0330 (19)
H15	0.5778	0.1566	0.0681	0.040*
C16	0.7337 (5)	0.0063 (6)	0.2812 (5)	0.0344 (19)
H16	0.7105	−0.0042	0.3244	0.041*
C17	0.7628 (5)	−0.0707 (6)	0.2375 (5)	0.041 (2)
H17	0.7643	−0.1419	0.2477	0.049*
C18	0.7888 (5)	−0.0228 (8)	0.1769 (5)	0.049 (3)
H18	0.8091	−0.0561	0.1378	0.058*
C19	0.7794 (5)	0.0822 (7)	0.1840 (5)	0.042 (2)
H19	0.7935	0.1326	0.1510	0.051*
C110	0.7461 (5)	0.1014 (5)	0.2477 (5)	0.0325 (19)
H110	0.7339	0.1666	0.2653	0.039*
Co2	0.66980 (6)	0.99404 (7)	0.66909 (6)	0.0203 (2)
C21	0.6445 (5)	1.0978 (6)	0.5808 (4)	0.0305 (18)
H21	0.5936	1.1024	0.5388	0.037*
C22	0.6602 (5)	1.1467 (5)	0.6546 (4)	0.0277 (18)
H22	0.6217	1.1899	0.6711	0.033*
C23	0.7433 (5)	1.1202 (5)	0.6996 (5)	0.0299 (18)
H23	0.7705	1.1427	0.7517	0.036*
C24	0.7792 (5)	1.0537 (5)	0.6533 (4)	0.0283 (17)
H24	0.8342	1.0237	0.6685	0.034*
C25	0.7166 (5)	1.0414 (5)	0.5804 (4)	0.0295 (18)
H25	0.7228	1.0009	0.5377	0.035*
C26	0.6986 (5)	0.8827 (5)	0.7511 (4)	0.0287 (18)
H26	0.7521	0.8723	0.7887	0.034*
C27	0.6731 (5)	0.8394 (6)	0.6756 (5)	0.035 (2)
H27	0.7063	0.7949	0.6536	0.042*
C28	0.5905 (6)	0.8726 (6)	0.6383 (5)	0.039 (2)
H28	0.5577	0.8553	0.5865	0.047*
C29	0.5648 (5)	0.9373 (6)	0.6921 (5)	0.041 (2)
H29	0.5111	0.9705	0.6826	0.049*
C210	0.6322 (5)	0.9440 (5)	0.7622 (4)	0.0307 (18)
H210	0.6327	0.9824	0.8079	0.037*
Co3	0.0000	0.5000	0.0000	0.0201 (3)
C31	−0.0875 (5)	0.5896 (6)	−0.0754 (5)	0.035 (2)
H31	−0.0801	0.6580	−0.0901	0.042*
C32	−0.0708 (5)	0.5017 (6)	−0.1139 (4)	0.034 (2)
H32	−0.0490	0.4998	−0.1585	0.041*
C33	−0.0923 (5)	0.4165 (6)	−0.0743 (5)	0.036 (2)
H33	−0.0883	0.3471	−0.0882	0.043*
C34	−0.1203 (4)	0.4518 (6)	−0.0115 (5)	0.035 (2)
H34	−0.1386	0.4107	0.0251	0.042*
C35	−0.1170 (5)	0.5589 (6)	−0.0114 (5)	0.036 (2)
H35	−0.1321	0.6028	0.0255	0.044*
Co4	0.0000	0.0000	0.0000	0.0214 (3)
C41	0.1132 (6)	0.0690 (7)	0.0463 (6)	0.051 (3)
H41	0.1651	0.0530	0.0344	0.061*
C42	0.0528 (7)	0.1403 (6)	0.0064 (5)	0.049 (3)
H42	0.0554	0.1815	−0.0372	0.058*
C43	−0.0129 (6)	0.1384 (6)	0.0442 (6)	0.051 (3)
H43	−0.0633	0.1786	0.0307	0.061*
C44	−0.0089 (7)	−0.0680 (8)	−0.1038 (5)	0.054 (3)
H44	0.0238	−0.0509	−0.1389	0.065*
C45	−0.0857 (7)	−0.0269 (7)	−0.1043 (6)	0.059 (3)
H45	−0.1151	0.0237	−0.1401	0.070*
S1	0.74411 (12)	0.17793 (14)	0.93918 (11)	0.0256 (4)
O11	0.7946 (3)	0.2022 (4)	0.8865 (3)	0.0361 (13)
O12	0.7140 (4)	0.0748 (4)	0.9346 (4)	0.0464 (16)
O13	0.7754 (4)	0.2187 (5)	1.0173 (3)	0.0458 (15)
C1	0.6468 (5)	0.2490 (6)	0.8970 (5)	0.0317 (19)
F11	0.5893 (3)	0.2327 (4)	0.9376 (3)	0.0424 (12)
F12	0.6609 (3)	0.3486 (3)	0.8986 (3)	0.0472 (13)
F13	0.6108 (3)	0.2233 (4)	0.8238 (3)	0.0520 (13)
S2	0.41440 (12)	0.17352 (14)	0.59981 (12)	0.0275 (5)
O21	0.4596 (3)	0.2037 (4)	0.5436 (3)	0.0414 (14)
O22	0.3852 (4)	0.0694 (4)	0.5930 (4)	0.0469 (16)
O23	0.4509 (4)	0.2086 (5)	0.6787 (3)	0.0505 (16)
C2	0.3160 (5)	0.2444 (6)	0.5668 (5)	0.0311 (19)
F21	0.2629 (3)	0.2246 (4)	0.6105 (3)	0.0454 (12)
F22	0.3297 (3)	0.3443 (3)	0.5691 (3)	0.0462 (13)
F23	0.2751 (3)	0.2203 (4)	0.4927 (3)	0.0478 (13)
S3	0.07830 (12)	0.28934 (14)	0.78776 (11)	0.0236 (4)
O31	0.1192 (3)	0.2698 (4)	0.7272 (3)	0.0322 (13)
O32	0.1206 (4)	0.2477 (4)	0.8635 (3)	0.0498 (17)
O33	0.0470 (4)	0.3916 (4)	0.7892 (3)	0.0394 (14)
C3	−0.0184 (5)	0.2131 (6)	0.7558 (5)	0.0306 (18)
F31	−0.0673 (3)	0.2248 (4)	0.8052 (3)	0.0535 (14)
F32	−0.0654 (3)	0.2393 (4)	0.6856 (3)	0.0554 (15)
F33	−0.0012 (3)	0.1148 (3)	0.7558 (3)	0.0536 (14)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Co1	0.0183 (5)	0.0230 (5)	0.0229 (5)	0.0010 (4)	0.0051 (4)	−0.0003 (4)
C11	0.038 (5)	0.032 (4)	0.021 (4)	0.003 (3)	0.005 (4)	−0.002 (3)
C12	0.030 (5)	0.018 (4)	0.034 (5)	−0.005 (3)	−0.011 (4)	−0.008 (3)
C13	0.028 (5)	0.050 (5)	0.043 (5)	−0.012 (4)	0.006 (4)	0.008 (4)
C14	0.018 (4)	0.052 (5)	0.038 (5)	0.001 (4)	0.010 (4)	−0.007 (4)
C15	0.032 (5)	0.032 (4)	0.029 (5)	0.009 (3)	−0.002 (4)	0.010 (4)
C16	0.037 (5)	0.037 (5)	0.025 (4)	0.008 (4)	0.003 (4)	0.004 (3)
C17	0.039 (5)	0.027 (4)	0.046 (6)	0.014 (4)	−0.008 (4)	0.004 (4)
C18	0.020 (5)	0.077 (7)	0.050 (6)	0.005 (4)	0.013 (4)	−0.029 (5)
C19	0.015 (4)	0.065 (6)	0.043 (6)	−0.014 (4)	0.003 (4)	0.005 (5)
C110	0.035 (5)	0.021 (4)	0.036 (5)	0.000 (3)	0.000 (4)	−0.004 (3)
Co2	0.0199 (5)	0.0202 (5)	0.0218 (5)	−0.0002 (4)	0.0075 (4)	0.0007 (4)
C21	0.027 (5)	0.036 (4)	0.028 (4)	−0.009 (3)	0.008 (4)	0.011 (3)
C22	0.027 (4)	0.021 (4)	0.039 (5)	0.002 (3)	0.016 (4)	0.005 (3)
C23	0.027 (5)	0.031 (4)	0.033 (5)	−0.010 (3)	0.012 (4)	0.001 (3)
C24	0.024 (4)	0.026 (4)	0.035 (5)	−0.005 (3)	0.008 (4)	0.005 (3)
C25	0.034 (5)	0.028 (4)	0.031 (4)	−0.012 (3)	0.017 (4)	−0.001 (3)
C26	0.028 (5)	0.027 (4)	0.029 (4)	−0.001 (3)	0.005 (4)	0.011 (3)
C27	0.046 (5)	0.022 (4)	0.043 (5)	−0.003 (4)	0.020 (4)	0.000 (4)
C28	0.042 (6)	0.038 (5)	0.032 (5)	−0.021 (4)	0.000 (4)	0.007 (4)
C29	0.024 (5)	0.042 (5)	0.060 (6)	0.002 (4)	0.020 (4)	0.024 (4)
C210	0.046 (5)	0.028 (4)	0.028 (4)	−0.004 (4)	0.027 (4)	0.003 (3)
Co3	0.0159 (7)	0.0234 (7)	0.0215 (8)	0.0010 (6)	0.0061 (6)	−0.0019 (6)
C31	0.027 (5)	0.029 (4)	0.040 (5)	0.008 (3)	−0.007 (4)	0.007 (4)
C32	0.024 (4)	0.059 (6)	0.022 (4)	0.003 (4)	0.010 (3)	−0.002 (4)
C33	0.026 (5)	0.032 (4)	0.043 (5)	−0.005 (3)	−0.002 (4)	−0.020 (4)
C34	0.015 (4)	0.049 (5)	0.042 (5)	0.000 (4)	0.011 (4)	0.005 (4)
C35	0.022 (5)	0.048 (5)	0.038 (5)	0.014 (4)	0.004 (4)	−0.012 (4)
Co4	0.0256 (8)	0.0189 (7)	0.0188 (8)	−0.0010 (6)	0.0046 (6)	−0.0026 (5)
C41	0.038 (6)	0.051 (6)	0.071 (7)	−0.009 (5)	0.027 (5)	−0.038 (5)
C42	0.082 (8)	0.032 (5)	0.030 (5)	−0.024 (5)	0.012 (5)	0.002 (4)
C43	0.041 (6)	0.024 (4)	0.078 (7)	0.006 (4)	−0.001 (5)	−0.028 (5)
C44	0.076 (8)	0.061 (6)	0.038 (6)	−0.037 (6)	0.037 (6)	−0.036 (5)
C45	0.076 (8)	0.038 (5)	0.037 (6)	−0.007 (5)	−0.026 (5)	0.004 (4)
S1	0.0263 (11)	0.0264 (10)	0.0267 (10)	0.0012 (8)	0.0117 (8)	0.0009 (8)
O11	0.033 (3)	0.047 (3)	0.033 (3)	−0.002 (3)	0.018 (3)	−0.001 (3)
O12	0.046 (4)	0.026 (3)	0.076 (5)	0.000 (3)	0.033 (3)	0.006 (3)
O13	0.040 (4)	0.061 (4)	0.033 (3)	0.002 (3)	0.006 (3)	−0.005 (3)
C1	0.034 (5)	0.031 (4)	0.033 (5)	0.005 (3)	0.014 (4)	0.001 (4)
F11	0.032 (3)	0.055 (3)	0.049 (3)	0.005 (2)	0.025 (2)	0.004 (2)
F12	0.062 (3)	0.026 (3)	0.061 (3)	0.005 (2)	0.028 (3)	0.009 (2)
F13	0.038 (3)	0.077 (4)	0.034 (3)	0.002 (3)	−0.002 (2)	−0.008 (3)
S2	0.0225 (11)	0.0248 (10)	0.0333 (11)	0.0011 (8)	0.0046 (9)	0.0025 (8)
O21	0.033 (3)	0.047 (3)	0.051 (4)	−0.004 (3)	0.023 (3)	0.001 (3)
O22	0.050 (4)	0.023 (3)	0.068 (4)	−0.002 (3)	0.016 (3)	0.002 (3)
O23	0.043 (4)	0.060 (4)	0.037 (4)	−0.004 (3)	−0.008 (3)	−0.001 (3)
C2	0.027 (5)	0.033 (5)	0.030 (5)	0.005 (3)	0.001 (4)	0.000 (3)
F21	0.031 (3)	0.054 (3)	0.059 (3)	−0.005 (2)	0.025 (2)	−0.007 (3)
F22	0.061 (4)	0.027 (3)	0.055 (3)	0.004 (2)	0.025 (3)	0.003 (2)
F23	0.041 (3)	0.065 (3)	0.030 (3)	0.005 (3)	−0.001 (2)	−0.009 (2)
S3	0.0205 (10)	0.0249 (9)	0.0258 (10)	−0.0029 (8)	0.0072 (8)	−0.0009 (8)
O31	0.030 (3)	0.029 (3)	0.046 (3)	0.002 (2)	0.023 (3)	0.008 (2)
O32	0.039 (4)	0.063 (4)	0.040 (4)	−0.011 (3)	−0.002 (3)	0.017 (3)
O33	0.045 (4)	0.026 (3)	0.055 (4)	−0.001 (3)	0.027 (3)	−0.007 (3)
C3	0.039 (5)	0.027 (4)	0.029 (4)	−0.004 (4)	0.015 (4)	0.003 (3)
F31	0.044 (3)	0.074 (4)	0.057 (3)	−0.018 (3)	0.037 (3)	−0.013 (3)
F32	0.039 (3)	0.082 (4)	0.036 (3)	−0.014 (3)	−0.005 (2)	0.009 (3)
F33	0.064 (4)	0.030 (3)	0.072 (4)	−0.021 (2)	0.027 (3)	−0.012 (3)

Geometric parameters (Å, º)

Co1—C11	2.029 (7)	Co3—C32	2.022 (7)
Co1—C12	2.025 (7)	Co3—C32^i	2.022 (7)
Co1—C13	2.012 (8)	Co3—C33^i	2.023 (7)
Co1—C14	2.027 (7)	Co3—C33	2.023 (7)
Co1—C15	2.031 (7)	Co3—C34	2.020 (7)
Co1—C16	2.028 (8)	Co3—C34^i	2.020 (7)
Co1—C17	2.034 (7)	Co3—C35	2.019 (7)
Co1—C18	2.011 (8)	Co3—C35^i	2.019 (7)
Co1—C19	2.022 (8)	C31—C32	1.402 (10)
Co1—C110	2.038 (7)	C31—C35	1.404 (11)
C11—C12	1.414 (10)	C31—H31	0.9500
C11—C15	1.417 (10)	C32—C33	1.413 (11)
C11—H11	0.9500	C32—H32	0.9500
C12—C13	1.390 (11)	C33—C34	1.390 (10)
C12—H12	0.9500	C33—H33	0.9500
C13—C14	1.406 (11)	C34—C35	1.406 (11)
C13—H13	0.9500	C34—H34	0.9500
C14—C15	1.401 (11)	C35—H35	0.9500
C14—H14	0.9500	Co4—C41	2.017 (9)
C15—H15	0.9500	Co4—C41^ii	2.017 (9)
C16—C110	1.419 (10)	Co4—C42^ii	2.022 (8)
C16—C17	1.430 (11)	Co4—C42	2.022 (8)
C16—H16	0.9500	Co4—C43	2.010 (7)
C17—C18	1.403 (12)	Co4—C43^ii	2.010 (7)
C17—H17	0.9500	Co4—C44^ii	2.007 (8)
C18—C19	1.396 (12)	Co4—C44	2.007 (8)
C18—H18	0.9500	Co4—C45	2.010 (8)
C19—C110	1.399 (11)	Co4—C45^ii	2.010 (8)
C19—H19	0.9500	C41—C45^ii	1.345 (13)
C110—H110	0.9500	C41—C42	1.401 (12)
Co2—C21	2.023 (7)	C41—H41	0.9500
Co2—C22	2.020 (7)	C42—C43	1.412 (12)
Co2—C23	2.027 (7)	C42—H42	0.9500
Co2—C24	2.038 (7)	C43—C44^ii	1.370 (13)
Co2—C25	2.020 (7)	C43—H43	0.9500
Co2—C26	2.018 (7)	C44—C45	1.362 (14)
Co2—C27	2.032 (7)	C44—C43^ii	1.370 (13)
Co2—C28	2.029 (8)	C44—H44	0.9500
Co2—C29	2.011 (8)	C45—C41^ii	1.345 (13)
Co2—C210	2.016 (7)	C45—H45	0.9500
C21—C25	1.391 (10)	S1—O11	1.439 (5)
C21—C22	1.410 (10)	S1—O12	1.434 (5)
C21—H21	0.9500	S1—O13	1.434 (6)
C22—C23	1.413 (10)	S1—C1	1.814 (8)
C22—H22	0.9500	C1—F13	1.306 (9)
C23—C24	1.427 (10)	C1—F12	1.326 (8)
C23—H23	0.9500	C1—F11	1.346 (8)
C24—C25	1.413 (10)	S2—O21	1.446 (5)
C24—H24	0.9500	S2—O22	1.441 (5)
C25—H25	0.9500	S2—O23	1.431 (6)
C26—C27	1.401 (10)	S2—C2	1.807 (8)
C26—C210	1.405 (10)	C2—F22	1.330 (8)
C26—H26	0.9500	C2—F23	1.331 (8)
C27—C28	1.396 (11)	C2—F21	1.334 (9)
C27—H27	0.9500	S3—O31	1.431 (5)
C28—C29	1.422 (12)	S3—O32	1.431 (6)
C28—H28	0.9500	S3—O33	1.438 (5)
C29—C210	1.413 (11)	S3—C3	1.822 (8)
C29—H29	0.9500	C3—F32	1.310 (9)
C210—H210	0.9500	C3—F33	1.320 (8)
Co3—C31	2.035 (7)	C3—F31	1.343 (8)
Co3—C31^i	2.035 (7)
C18—Co1—C13	144.6 (4)	C210—C29—C28	108.6 (7)
C18—Co1—C19	40.5 (3)	C210—C29—Co2	69.6 (4)
C13—Co1—C19	174.3 (4)	C28—C29—Co2	70.1 (4)
C18—Co1—C12	114.2 (3)	C210—C29—H29	125.7
C13—Co1—C12	40.3 (3)	C28—C29—H29	125.7
C19—Co1—C12	144.7 (4)	Co2—C29—H29	126.1
C18—Co1—C14	173.8 (4)	C26—C210—C29	106.7 (7)
C13—Co1—C14	40.7 (3)	C26—C210—Co2	69.7 (4)
C19—Co1—C14	134.4 (4)	C29—C210—Co2	69.3 (4)
C12—Co1—C14	68.2 (3)	C26—C210—H210	126.7
C18—Co1—C16	69.2 (4)	C29—C210—H210	126.7
C13—Co1—C16	109.7 (3)	Co2—C210—H210	125.9
C19—Co1—C16	68.5 (3)	C35—Co3—C35^i	180.0 (4)
C12—Co1—C16	134.5 (3)	C35—Co3—C34	40.8 (3)
C14—Co1—C16	113.7 (3)	C35^i—Co3—C34	139.2 (3)
C18—Co1—C11	109.0 (3)	C35—Co3—C34^i	139.2 (3)
C13—Co1—C11	68.6 (3)	C35^i—Co3—C34^i	40.8 (3)
C19—Co1—C11	113.8 (3)	C34—Co3—C34^i	180.0
C12—Co1—C11	40.8 (3)	C35—Co3—C32	68.4 (3)
C14—Co1—C11	68.7 (3)	C35^i—Co3—C32	111.6 (3)
C16—Co1—C11	174.4 (3)	C34—Co3—C32	68.4 (3)
C18—Co1—C15	134.2 (4)	C34^i—Co3—C32	111.6 (3)
C13—Co1—C15	68.1 (3)	C35—Co3—C32^i	111.6 (3)
C19—Co1—C15	110.0 (3)	C35^i—Co3—C32^i	68.4 (3)
C12—Co1—C15	68.1 (3)	C34—Co3—C32^i	111.6 (3)
C14—Co1—C15	40.4 (3)	C34^i—Co3—C32^i	68.4 (3)
C16—Co1—C15	144.1 (3)	C32—Co3—C32^i	180.0 (2)
C11—Co1—C15	40.8 (3)	C35—Co3—C33^i	111.8 (3)
C18—Co1—C17	40.6 (3)	C35^i—Co3—C33^i	68.2 (3)
C13—Co1—C17	114.6 (4)	C34—Co3—C33^i	139.8 (3)
C19—Co1—C17	67.9 (4)	C34^i—Co3—C33^i	40.2 (3)
C12—Co1—C17	110.0 (3)	C32—Co3—C33^i	139.1 (3)
C14—Co1—C17	145.0 (4)	C32^i—Co3—C33^i	40.9 (3)
C16—Co1—C17	41.2 (3)	C35—Co3—C33	68.2 (3)
C11—Co1—C17	134.1 (3)	C35^i—Co3—C33	111.8 (3)
C15—Co1—C17	173.9 (3)	C34—Co3—C33	40.2 (3)
C18—Co1—C110	68.4 (3)	C34^i—Co3—C33	139.8 (3)
C13—Co1—C110	134.9 (4)	C32—Co3—C33	40.9 (3)
C19—Co1—C110	40.3 (3)	C32^i—Co3—C33	139.1 (3)
C12—Co1—C110	174.4 (3)	C33^i—Co3—C33	180.000 (1)
C14—Co1—C110	109.8 (3)	C35—Co3—C31	40.5 (3)
C16—Co1—C110	40.8 (3)	C35^i—Co3—C31	139.5 (3)
C11—Co1—C110	144.1 (3)	C34—Co3—C31	68.2 (3)
C15—Co1—C110	114.1 (3)	C34^i—Co3—C31	111.8 (3)
C17—Co1—C110	68.4 (3)	C32—Co3—C31	40.4 (3)
C12—C11—C15	106.6 (7)	C32^i—Co3—C31	139.6 (3)
C12—C11—Co1	69.4 (4)	C33^i—Co3—C31	111.9 (3)
C15—C11—Co1	69.6 (4)	C33—Co3—C31	68.1 (3)
C12—C11—H11	126.7	C35—Co3—C31^i	139.5 (3)
C15—C11—H11	126.7	C35^i—Co3—C31^i	40.5 (3)
Co1—C11—H11	125.9	C34—Co3—C31^i	111.8 (3)
C13—C12—C11	108.5 (7)	C34^i—Co3—C31^i	68.2 (3)
C13—C12—Co1	69.4 (4)	C32—Co3—C31^i	139.6 (3)
C11—C12—Co1	69.8 (4)	C32^i—Co3—C31^i	40.4 (3)
C13—C12—H12	125.7	C33^i—Co3—C31^i	68.1 (3)
C11—C12—H12	125.7	C33—Co3—C31^i	111.9 (3)
Co1—C12—H12	126.7	C31—Co3—C31^i	180.0 (3)
C12—C13—C14	108.7 (7)	C32—C31—C35	108.0 (7)
C12—C13—Co1	70.4 (5)	C32—C31—Co3	69.3 (4)
C14—C13—Co1	70.2 (4)	C35—C31—Co3	69.1 (4)
C12—C13—H13	125.7	C32—C31—H31	126.0
C14—C13—H13	125.7	C35—C31—H31	126.0
Co1—C13—H13	125.4	Co3—C31—H31	127.2
C15—C14—C13	107.4 (7)	C31—C32—C33	107.6 (7)
C15—C14—Co1	69.9 (4)	C31—C32—Co3	70.3 (4)
C13—C14—Co1	69.1 (5)	C33—C32—Co3	69.6 (4)
C15—C14—H14	126.3	C31—C32—H32	126.2
C13—C14—H14	126.3	C33—C32—H32	126.2
Co1—C14—H14	126.3	Co3—C32—H32	125.5
C14—C15—C11	108.7 (7)	C34—C33—C32	108.2 (7)
C14—C15—Co1	69.6 (4)	C34—C33—Co3	69.7 (4)
C11—C15—Co1	69.5 (4)	C32—C33—Co3	69.5 (4)
C14—C15—H15	125.7	C34—C33—H33	125.9
C11—C15—H15	125.7	C32—C33—H33	125.9
Co1—C15—H15	126.8	Co3—C33—H33	126.4
C110—C16—C17	106.8 (7)	C33—C34—C35	108.2 (7)
C110—C16—Co1	70.0 (4)	C33—C34—Co3	70.0 (4)
C17—C16—Co1	69.6 (4)	C35—C34—Co3	69.6 (4)
C110—C16—H16	126.6	C33—C34—H34	125.9
C17—C16—H16	126.6	C35—C34—H34	125.9
Co1—C16—H16	125.4	Co3—C34—H34	126.1
C18—C17—C16	108.0 (7)	C31—C35—C34	107.9 (7)
C18—C17—Co1	68.8 (5)	C31—C35—Co3	70.4 (4)
C16—C17—Co1	69.2 (4)	C34—C35—Co3	69.7 (4)
C18—C17—H17	126.0	C31—C35—H35	126.0
C16—C17—H17	126.0	C34—C35—H35	126.0
Co1—C17—H17	127.6	Co3—C35—H35	125.5
C19—C18—C17	108.1 (7)	C44^ii—Co4—C44	180.0 (9)
C19—C18—Co1	70.2 (5)	C44^ii—Co4—C43	39.9 (4)
C17—C18—Co1	70.6 (5)	C44—Co4—C43	140.1 (4)
C19—C18—H18	126.0	C44^ii—Co4—C43^ii	140.1 (4)
C17—C18—H18	126.0	C44—Co4—C43^ii	39.9 (4)
Co1—C18—H18	124.9	C43—Co4—C43^ii	180.0 (7)
C18—C19—C110	109.0 (8)	C44^ii—Co4—C45	140.4 (4)
C18—C19—Co1	69.3 (5)	C44—Co4—C45	39.6 (4)
C110—C19—Co1	70.5 (5)	C43—Co4—C45	113.1 (4)
C18—C19—H19	125.5	C43^ii—Co4—C45	66.9 (4)
C110—C19—H19	125.5	C44^ii—Co4—C45^ii	39.6 (4)
Co1—C19—H19	126.3	C44—Co4—C45^ii	140.4 (4)
C19—C110—C16	108.0 (7)	C43—Co4—C45^ii	66.9 (4)
C19—C110—Co1	69.2 (4)	C43^ii—Co4—C45^ii	113.1 (4)
C16—C110—Co1	69.2 (4)	C45—Co4—C45^ii	180.0 (7)
C19—C110—H110	126.0	C44^ii—Co4—C41	66.7 (4)
C16—C110—H110	126.0	C44—Co4—C41	113.3 (4)
Co1—C110—H110	127.2	C43—Co4—C41	67.7 (3)
C29—Co2—C210	41.1 (3)	C43^ii—Co4—C41	112.3 (3)
C29—Co2—C26	68.3 (3)	C45—Co4—C41	141.0 (4)
C210—Co2—C26	40.8 (3)	C45^ii—Co4—C41	39.0 (4)
C29—Co2—C25	142.8 (4)	C44^ii—Co4—C41^ii	113.3 (4)
C210—Co2—C25	175.7 (3)	C44—Co4—C41^ii	66.7 (4)
C26—Co2—C25	135.7 (3)	C43—Co4—C41^ii	112.3 (3)
C29—Co2—C22	110.6 (3)	C43^ii—Co4—C41^ii	67.7 (3)
C210—Co2—C22	113.3 (3)	C45—Co4—C41^ii	39.0 (4)
C26—Co2—C22	143.4 (3)	C45^ii—Co4—C41^ii	141.0 (4)
C25—Co2—C22	68.2 (3)	C41—Co4—C41^ii	180.0 (5)
C29—Co2—C21	113.6 (3)	C44^ii—Co4—C42^ii	112.2 (4)
C210—Co2—C21	143.4 (3)	C44—Co4—C42^ii	67.8 (4)
C26—Co2—C21	175.2 (3)	C43—Co4—C42^ii	139.0 (4)
C25—Co2—C21	40.3 (3)	C43^ii—Co4—C42^ii	41.0 (4)
C22—Co2—C21	40.8 (3)	C45—Co4—C42^ii	67.2 (4)
C29—Co2—C23	136.3 (4)	C45^ii—Co4—C42^ii	112.8 (4)
C210—Co2—C23	109.9 (3)	C41—Co4—C42^ii	139.4 (4)
C26—Co2—C23	113.4 (3)	C41^ii—Co4—C42^ii	40.6 (4)
C25—Co2—C23	68.4 (3)	C44^ii—Co4—C42	67.8 (4)
C22—Co2—C23	40.9 (3)	C44—Co4—C42	112.2 (4)
C21—Co2—C23	68.6 (3)	C43—Co4—C42	41.0 (4)
C29—Co2—C28	41.2 (3)	C43^ii—Co4—C42	139.0 (4)
C210—Co2—C28	69.3 (3)	C45—Co4—C42	112.8 (4)
C26—Co2—C28	68.2 (3)	C45^ii—Co4—C42	67.2 (4)
C25—Co2—C28	112.6 (3)	C41—Co4—C42	40.6 (4)
C22—Co2—C28	136.3 (3)	C41^ii—Co4—C42	139.4 (4)
C21—Co2—C28	110.0 (3)	C42^ii—Co4—C42	180.0 (6)
C23—Co2—C28	176.8 (3)	C45^ii—C41—C42	108.6 (9)
C29—Co2—C27	68.3 (3)	C45^ii—C41—Co4	70.2 (5)
C210—Co2—C27	68.8 (3)	C42—C41—Co4	69.9 (5)
C26—Co2—C27	40.5 (3)	C45^ii—C41—H41	125.7
C25—Co2—C27	110.0 (3)	C42—C41—H41	125.7
C22—Co2—C27	175.7 (3)	Co4—C41—H41	125.8
C21—Co2—C27	135.4 (3)	C41—C42—C43	105.8 (8)
C23—Co2—C27	142.7 (3)	C41—C42—Co4	69.5 (5)
C28—Co2—C27	40.2 (3)	C43—C42—Co4	69.0 (5)
C29—Co2—C24	176.3 (3)	C41—C42—H42	127.1
C210—Co2—C24	135.4 (3)	C43—C42—H42	127.1
C26—Co2—C24	109.7 (3)	Co4—C42—H42	125.9
C25—Co2—C24	40.7 (3)	C44^ii—C43—C42	107.7 (8)
C22—Co2—C24	69.0 (3)	C44^ii—C43—Co4	69.9 (5)
C21—Co2—C24	68.7 (3)	C42—C43—Co4	70.0 (5)
C23—Co2—C24	41.1 (3)	C44^ii—C43—H43	126.1
C28—Co2—C24	141.5 (3)	C42—C43—H43	126.1
C27—Co2—C24	112.4 (3)	Co4—C43—H43	125.6
C25—C21—C22	108.0 (7)	C45—C44—C43^ii	108.4 (9)
C25—C21—Co2	69.7 (4)	C45—C44—Co4	70.3 (5)
C22—C21—Co2	69.5 (4)	C43^ii—C44—Co4	70.2 (5)
C25—C21—H21	126.0	C45—C44—H44	125.8
C22—C21—H21	126.0	C43^ii—C44—H44	125.8
Co2—C21—H21	126.3	Co4—C44—H44	125.3
C21—C22—C23	107.9 (7)	C41^ii—C45—C44	109.5 (9)
C21—C22—Co2	69.7 (4)	C41^ii—C45—Co4	70.8 (5)
C23—C22—Co2	69.9 (4)	C44—C45—Co4	70.0 (5)
C21—C22—H22	126.0	C41^ii—C45—H45	125.2
C23—C22—H22	126.0	C44—C45—H45	125.2
Co2—C22—H22	126.0	Co4—C45—H45	125.6
C22—C23—C24	108.1 (7)	O13—S1—O12	115.5 (4)
C22—C23—Co2	69.3 (4)	O13—S1—O11	115.1 (3)
C24—C23—Co2	69.8 (4)	O12—S1—O11	114.9 (3)
C22—C23—H23	126.0	O13—S1—C1	104.0 (4)
C24—C23—H23	126.0	O12—S1—C1	102.3 (4)
Co2—C23—H23	126.5	O11—S1—C1	102.4 (3)
C25—C24—C23	106.4 (7)	F13—C1—F12	107.7 (6)
C25—C24—Co2	68.9 (4)	F13—C1—F11	107.2 (7)
C23—C24—Co2	69.0 (4)	F12—C1—F11	106.7 (6)
C25—C24—H24	126.8	F13—C1—S1	112.1 (5)
C23—C24—H24	126.8	F12—C1—S1	111.8 (6)
Co2—C24—H24	126.8	F11—C1—S1	111.1 (5)
C21—C25—C24	109.5 (7)	O23—S2—O22	115.2 (4)
C21—C25—Co2	70.0 (4)	O23—S2—O21	115.2 (4)
C24—C25—Co2	70.3 (4)	O22—S2—O21	115.0 (4)
C21—C25—H25	125.2	O23—S2—C2	104.0 (4)
C24—C25—H25	125.2	O22—S2—C2	102.5 (4)
Co2—C25—H25	126.0	O21—S2—C2	102.4 (4)
C27—C26—C210	109.1 (7)	F22—C2—F23	107.4 (6)
C27—C26—Co2	70.3 (4)	F22—C2—F21	107.8 (6)
C210—C26—Co2	69.5 (4)	F23—C2—F21	106.9 (6)
C27—C26—H26	125.5	F22—C2—S2	111.7 (6)
C210—C26—H26	125.5	F23—C2—S2	110.8 (5)
Co2—C26—H26	126.3	F21—C2—S2	112.1 (5)
C28—C27—C26	108.4 (7)	O31—S3—O32	115.1 (4)
C28—C27—Co2	69.8 (4)	O31—S3—O33	114.9 (3)
C26—C27—Co2	69.2 (4)	O32—S3—O33	114.9 (4)
C28—C27—H27	125.8	O31—S3—C3	102.4 (3)
C26—C27—H27	125.8	O32—S3—C3	103.4 (4)
Co2—C27—H27	126.8	O33—S3—C3	103.7 (4)
C27—C28—C29	107.3 (7)	F32—C3—F33	109.0 (7)
C27—C28—Co2	70.0 (4)	F32—C3—F31	106.6 (7)
C29—C28—Co2	68.7 (4)	F33—C3—F31	106.1 (6)
C27—C28—H28	126.4	F32—C3—S3	112.3 (5)
C29—C28—H28	126.4	F33—C3—S3	111.7 (6)
Co2—C28—H28	126.5	F31—C3—S3	110.9 (5)
C18—Co1—C11—C12	105.3 (5)	C28—Co2—C26—C210	−83.2 (5)
C13—Co1—C11—C12	−36.9 (5)	C27—Co2—C26—C210	−120.3 (7)
C19—Co1—C11—C12	148.7 (5)	C24—Co2—C26—C210	138.0 (5)
C14—Co1—C11—C12	−80.8 (5)	C210—C26—C27—C28	0.0 (8)
C15—Co1—C11—C12	−117.8 (7)	Co2—C26—C27—C28	−58.9 (5)
C17—Co1—C11—C12	67.0 (7)	C210—C26—C27—Co2	58.9 (5)
C110—Co1—C11—C12	−175.6 (5)	C29—Co2—C27—C28	38.4 (5)
C18—Co1—C11—C15	−136.9 (5)	C210—Co2—C27—C28	82.7 (5)
C13—Co1—C11—C15	80.8 (5)	C26—Co2—C27—C28	120.0 (7)
C19—Co1—C11—C15	−93.6 (5)	C25—Co2—C27—C28	−101.7 (5)
C12—Co1—C11—C15	117.8 (7)	C21—Co2—C27—C28	−63.7 (6)
C14—Co1—C11—C15	36.9 (5)	C23—Co2—C27—C28	178.1 (5)
C17—Co1—C11—C15	−175.2 (5)	C24—Co2—C27—C28	−145.5 (5)
C110—Co1—C11—C15	−57.8 (7)	C29—Co2—C27—C26	−81.6 (5)
C15—C11—C12—C13	−1.3 (9)	C210—Co2—C27—C26	−37.3 (5)
Co1—C11—C12—C13	58.7 (5)	C25—Co2—C27—C26	138.3 (5)
C15—C11—C12—Co1	−60.0 (5)	C21—Co2—C27—C26	176.3 (5)
C18—Co1—C12—C13	148.5 (5)	C23—Co2—C27—C26	58.1 (7)
C19—Co1—C12—C13	−175.5 (6)	C28—Co2—C27—C26	−120.0 (7)
C14—Co1—C12—C13	−37.8 (5)	C24—Co2—C27—C26	94.5 (5)
C16—Co1—C12—C13	64.5 (6)	C26—C27—C28—C29	−0.3 (8)
C11—Co1—C12—C13	−120.1 (7)	Co2—C27—C28—C29	−58.8 (5)
C15—Co1—C12—C13	−81.5 (5)	C26—C27—C28—Co2	58.6 (5)
C17—Co1—C12—C13	104.7 (5)	C29—Co2—C28—C27	−118.7 (7)
C18—Co1—C12—C11	−91.5 (5)	C210—Co2—C28—C27	−81.1 (5)
C13—Co1—C12—C11	120.1 (7)	C26—Co2—C28—C27	−37.3 (5)
C19—Co1—C12—C11	−55.5 (7)	C25—Co2—C28—C27	94.7 (5)
C14—Co1—C12—C11	82.3 (5)	C22—Co2—C28—C27	176.3 (5)
C16—Co1—C12—C11	−175.4 (5)	C21—Co2—C28—C27	137.9 (5)
C15—Co1—C12—C11	38.6 (5)	C24—Co2—C28—C27	57.4 (7)
C17—Co1—C12—C11	−135.2 (5)	C210—Co2—C28—C29	37.6 (5)
C11—C12—C13—C14	1.1 (9)	C26—Co2—C28—C29	81.5 (5)
Co1—C12—C13—C14	60.0 (6)	C25—Co2—C28—C29	−146.6 (5)
C11—C12—C13—Co1	−58.9 (5)	C22—Co2—C28—C29	−65.0 (6)
C18—Co1—C13—C12	−55.4 (8)	C21—Co2—C28—C29	−103.3 (5)
C14—Co1—C13—C12	119.4 (7)	C27—Co2—C28—C29	118.7 (7)
C16—Co1—C13—C12	−136.9 (5)	C24—Co2—C28—C29	176.1 (5)
C11—Co1—C13—C12	37.4 (4)	C27—C28—C29—C210	0.5 (9)
C15—Co1—C13—C12	81.6 (5)	Co2—C28—C29—C210	−59.2 (5)
C17—Co1—C13—C12	−92.5 (5)	C27—C28—C29—Co2	59.7 (5)
C110—Co1—C13—C12	−175.8 (4)	C26—Co2—C29—C210	38.4 (4)
C18—Co1—C13—C14	−174.8 (6)	C25—Co2—C29—C210	176.9 (5)
C12—Co1—C13—C14	−119.4 (7)	C22—Co2—C29—C210	−102.3 (5)
C16—Co1—C13—C14	103.8 (5)	C21—Co2—C29—C210	−146.4 (5)
C11—Co1—C13—C14	−81.9 (5)	C23—Co2—C29—C210	−63.2 (6)
C15—Co1—C13—C14	−37.8 (5)	C28—Co2—C29—C210	119.7 (7)
C17—Co1—C13—C14	148.2 (5)	C27—Co2—C29—C210	82.2 (5)
C110—Co1—C13—C14	64.9 (6)	C210—Co2—C29—C28	−119.7 (7)
C12—C13—C14—C15	−0.4 (9)	C26—Co2—C29—C28	−81.3 (5)
Co1—C13—C14—C15	59.7 (5)	C25—Co2—C29—C28	57.2 (7)
C12—C13—C14—Co1	−60.1 (6)	C22—Co2—C29—C28	138.0 (5)
C13—Co1—C14—C15	−118.7 (7)	C21—Co2—C29—C28	93.9 (5)
C19—Co1—C14—C15	65.7 (6)	C23—Co2—C29—C28	177.1 (5)
C12—Co1—C14—C15	−81.4 (5)	C27—Co2—C29—C28	−37.6 (5)
C16—Co1—C14—C15	148.2 (5)	C27—C26—C210—C29	0.3 (8)
C11—Co1—C14—C15	−37.3 (5)	Co2—C26—C210—C29	59.7 (5)
C17—Co1—C14—C15	−175.5 (5)	C27—C26—C210—Co2	−59.4 (5)
C110—Co1—C14—C15	104.2 (5)	C28—C29—C210—C26	−0.5 (8)
C19—Co1—C14—C13	−175.6 (5)	Co2—C29—C210—C26	−60.0 (5)
C12—Co1—C14—C13	37.4 (5)	C28—C29—C210—Co2	59.5 (5)
C16—Co1—C14—C13	−93.1 (5)	C29—Co2—C210—C26	117.8 (7)
C11—Co1—C14—C13	81.4 (5)	C22—Co2—C210—C26	−147.1 (5)
C15—Co1—C14—C13	118.7 (7)	C21—Co2—C210—C26	176.3 (5)
C17—Co1—C14—C13	−56.8 (8)	C23—Co2—C210—C26	−103.1 (5)
C110—Co1—C14—C13	−137.0 (5)	C28—Co2—C210—C26	80.2 (5)
C13—C14—C15—C11	−0.4 (9)	C27—Co2—C210—C26	37.0 (5)
Co1—C14—C15—C11	58.7 (5)	C24—Co2—C210—C26	−63.8 (6)
C13—C14—C15—Co1	−59.1 (5)	C26—Co2—C210—C29	−117.8 (7)
C12—C11—C15—C14	1.1 (9)	C22—Co2—C210—C29	95.1 (5)
Co1—C11—C15—C14	−58.8 (5)	C21—Co2—C210—C29	58.4 (7)
C12—C11—C15—Co1	59.8 (5)	C23—Co2—C210—C29	139.0 (5)
C18—Co1—C15—C14	−175.4 (5)	C28—Co2—C210—C29	−37.7 (5)
C13—Co1—C15—C14	38.1 (5)	C27—Co2—C210—C29	−80.9 (5)
C19—Co1—C15—C14	−136.2 (5)	C24—Co2—C210—C29	178.3 (5)
C12—Co1—C15—C14	81.6 (5)	C35—Co3—C31—C32	−119.9 (7)
C16—Co1—C15—C14	−55.5 (8)	C35^i—Co3—C31—C32	60.1 (7)
C11—Co1—C15—C14	120.2 (7)	C34—Co3—C31—C32	−81.8 (5)
C110—Co1—C15—C14	−92.7 (5)	C34^i—Co3—C31—C32	98.2 (5)
C18—Co1—C15—C11	64.4 (6)	C32^i—Co3—C31—C32	180.0
C13—Co1—C15—C11	−82.1 (5)	C33^i—Co3—C31—C32	141.7 (5)
C19—Co1—C15—C11	103.6 (5)	C33—Co3—C31—C32	−38.3 (5)
C12—Co1—C15—C11	−38.6 (5)	C35^i—Co3—C31—C35	180.0
C14—Co1—C15—C11	−120.2 (7)	C34—Co3—C31—C35	38.1 (5)
C16—Co1—C15—C11	−175.7 (5)	C34^i—Co3—C31—C35	−141.9 (5)
C110—Co1—C15—C11	147.0 (5)	C32—Co3—C31—C35	119.9 (7)
C18—Co1—C16—C110	80.7 (5)	C32^i—Co3—C31—C35	−60.1 (7)
C13—Co1—C16—C110	−137.2 (5)	C33^i—Co3—C31—C35	−98.4 (5)
C19—Co1—C16—C110	37.1 (5)	C33—Co3—C31—C35	81.6 (5)
C12—Co1—C16—C110	−175.4 (5)	C35—C31—C32—C33	1.5 (9)
C14—Co1—C16—C110	−93.4 (5)	Co3—C31—C32—C33	59.8 (5)
C15—Co1—C16—C110	−57.7 (8)	C35—C31—C32—Co3	−58.4 (5)
C17—Co1—C16—C110	117.7 (7)	C35—Co3—C32—C31	37.3 (5)
C18—Co1—C16—C17	−37.0 (5)	C35^i—Co3—C32—C31	−142.7 (5)
C13—Co1—C16—C17	105.2 (6)	C34—Co3—C32—C31	81.3 (5)
C19—Co1—C16—C17	−80.6 (6)	C34^i—Co3—C32—C31	−98.7 (5)
C12—Co1—C16—C17	66.9 (7)	C33^i—Co3—C32—C31	−61.5 (7)
C14—Co1—C16—C17	149.0 (5)	C33—Co3—C32—C31	118.5 (7)
C15—Co1—C16—C17	−175.4 (5)	C31^i—Co3—C32—C31	180.0
C110—Co1—C16—C17	−117.7 (7)	C35—Co3—C32—C33	−81.2 (5)
C110—C16—C17—C18	−2.4 (9)	C35^i—Co3—C32—C33	98.8 (5)
Co1—C16—C17—C18	58.0 (6)	C34—Co3—C32—C33	−37.2 (5)
C110—C16—C17—Co1	−60.4 (5)	C34^i—Co3—C32—C33	142.8 (5)
C13—Co1—C17—C18	147.5 (5)	C33^i—Co3—C32—C33	180.0
C19—Co1—C17—C18	−38.0 (5)	C31—Co3—C32—C33	−118.5 (7)
C12—Co1—C17—C18	104.1 (5)	C31^i—Co3—C32—C33	61.5 (7)
C14—Co1—C17—C18	−175.6 (6)	C31—C32—C33—C34	−1.1 (9)
C16—Co1—C17—C18	−120.2 (7)	Co3—C32—C33—C34	59.2 (5)
C11—Co1—C17—C18	64.3 (7)	C31—C32—C33—Co3	−60.3 (5)
C110—Co1—C17—C18	−81.6 (5)	C35—Co3—C33—C34	−37.8 (5)
C18—Co1—C17—C16	120.2 (7)	C35^i—Co3—C33—C34	142.2 (5)
C13—Co1—C17—C16	−92.3 (6)	C34^i—Co3—C33—C34	180.0
C19—Co1—C17—C16	82.1 (5)	C32—Co3—C33—C34	−119.6 (7)
C12—Co1—C17—C16	−135.7 (5)	C32^i—Co3—C33—C34	60.4 (7)
C14—Co1—C17—C16	−55.4 (8)	C31—Co3—C33—C34	−81.6 (5)
C11—Co1—C17—C16	−175.6 (5)	C31^i—Co3—C33—C34	98.4 (5)
C110—Co1—C17—C16	38.5 (5)	C35—Co3—C33—C32	81.7 (5)
C16—C17—C18—C19	2.3 (9)	C35^i—Co3—C33—C32	−98.3 (5)
Co1—C17—C18—C19	60.5 (6)	C34—Co3—C33—C32	119.6 (7)
C16—C17—C18—Co1	−58.2 (6)	C34^i—Co3—C33—C32	−60.4 (7)
C13—Co1—C18—C19	−175.8 (6)	C32^i—Co3—C33—C32	180.0
C12—Co1—C18—C19	148.5 (5)	C31—Co3—C33—C32	37.9 (4)
C16—Co1—C18—C19	−80.9 (5)	C31^i—Co3—C33—C32	−142.1 (4)
C11—Co1—C18—C19	104.8 (5)	C32—C33—C34—C35	0.3 (9)
C15—Co1—C18—C19	66.2 (7)	Co3—C33—C34—C35	59.3 (5)
C17—Co1—C18—C19	−118.5 (7)	C32—C33—C34—Co3	−59.1 (5)
C110—Co1—C18—C19	−36.9 (5)	C35—Co3—C34—C33	119.3 (7)
C13—Co1—C18—C17	−57.4 (8)	C35^i—Co3—C34—C33	−60.7 (7)
C19—Co1—C18—C17	118.5 (7)	C32—Co3—C34—C33	37.8 (5)
C12—Co1—C18—C17	−93.1 (5)	C32^i—Co3—C34—C33	−142.2 (5)
C16—Co1—C18—C17	37.6 (5)	C33^i—Co3—C34—C33	180.0
C11—Co1—C18—C17	−136.8 (5)	C31—Co3—C34—C33	81.5 (5)
C15—Co1—C18—C17	−175.4 (5)	C31^i—Co3—C34—C33	−98.5 (5)
C110—Co1—C18—C17	81.5 (5)	C35^i—Co3—C34—C35	180.0
C17—C18—C19—C110	−1.3 (10)	C32—Co3—C34—C35	−81.6 (5)
Co1—C18—C19—C110	59.4 (6)	C32^i—Co3—C34—C35	98.4 (5)
C17—C18—C19—Co1	−60.7 (6)	C33^i—Co3—C34—C35	60.7 (7)
C12—Co1—C19—C18	−55.7 (8)	C33—Co3—C34—C35	−119.3 (7)
C14—Co1—C19—C18	−174.7 (5)	C31—Co3—C34—C35	−37.9 (5)
C16—Co1—C19—C18	82.7 (6)	C31^i—Co3—C34—C35	142.1 (5)
C11—Co1—C19—C18	−91.8 (6)	C32—C31—C35—C34	−1.3 (9)
C15—Co1—C19—C18	−135.8 (5)	Co3—C31—C35—C34	−59.8 (5)
C17—Co1—C19—C18	38.1 (5)	C32—C31—C35—Co3	58.5 (5)
C110—Co1—C19—C18	120.3 (7)	C33—C34—C35—C31	0.6 (9)
C18—Co1—C19—C110	−120.3 (7)	Co3—C34—C35—C31	60.2 (5)
C12—Co1—C19—C110	−175.9 (5)	C33—C34—C35—Co3	−59.6 (5)
C14—Co1—C19—C110	65.0 (6)	C34—Co3—C35—C31	−118.7 (7)
C16—Co1—C19—C110	−37.6 (4)	C34^i—Co3—C35—C31	61.3 (7)
C11—Co1—C19—C110	148.0 (4)	C32—Co3—C35—C31	−37.2 (5)
C15—Co1—C19—C110	104.0 (5)	C32^i—Co3—C35—C31	142.8 (5)
C17—Co1—C19—C110	−82.1 (5)	C33^i—Co3—C35—C31	98.6 (5)
C18—C19—C110—C16	−0.3 (9)	C33—Co3—C35—C31	−81.4 (5)
Co1—C19—C110—C16	58.5 (5)	C31^i—Co3—C35—C31	180.0
C18—C19—C110—Co1	−58.7 (6)	C34^i—Co3—C35—C34	180.0
C17—C16—C110—C19	1.6 (9)	C32—Co3—C35—C34	81.5 (5)
Co1—C16—C110—C19	−58.5 (5)	C32^i—Co3—C35—C34	−98.5 (5)
C17—C16—C110—Co1	60.1 (5)	C33^i—Co3—C35—C34	−142.7 (5)
C18—Co1—C110—C19	37.1 (5)	C33—Co3—C35—C34	37.3 (5)
C13—Co1—C110—C19	−175.5 (5)	C31—Co3—C35—C34	118.7 (7)
C14—Co1—C110—C19	−136.5 (5)	C31^i—Co3—C35—C34	−61.3 (7)
C16—Co1—C110—C19	119.8 (7)	C44^ii—Co4—C41—C45^ii	36.9 (6)
C11—Co1—C110—C19	−55.7 (7)	C44—Co4—C41—C45^ii	−143.1 (6)
C15—Co1—C110—C19	−93.1 (5)	C43—Co4—C41—C45^ii	80.3 (6)
C17—Co1—C110—C19	80.9 (6)	C43^ii—Co4—C41—C45^ii	−99.7 (6)
C18—Co1—C110—C16	−82.7 (5)	C45—Co4—C41—C45^ii	180.0
C13—Co1—C110—C16	64.7 (6)	C42^ii—Co4—C41—C45^ii	−60.5 (8)
C19—Co1—C110—C16	−119.8 (7)	C42—Co4—C41—C45^ii	119.5 (8)
C14—Co1—C110—C16	103.6 (5)	C44^ii—Co4—C41—C42	−82.6 (6)
C11—Co1—C110—C16	−175.6 (5)	C44—Co4—C41—C42	97.4 (6)
C15—Co1—C110—C16	147.1 (5)	C43—Co4—C41—C42	−39.2 (5)
C17—Co1—C110—C16	−38.9 (5)	C43^ii—Co4—C41—C42	140.8 (5)
C29—Co2—C21—C25	−146.0 (5)	C45—Co4—C41—C42	60.5 (8)
C210—Co2—C21—C25	176.3 (5)	C45^ii—Co4—C41—C42	−119.5 (8)
C22—Co2—C21—C25	119.3 (6)	C42^ii—Co4—C41—C42	180.0
C23—Co2—C21—C25	81.4 (5)	C45^ii—C41—C42—C43	0.0 (9)
C28—Co2—C21—C25	−101.6 (5)	Co4—C41—C42—C43	59.8 (5)
C27—Co2—C21—C25	−63.6 (6)	C45^ii—C41—C42—Co4	−59.8 (6)
C24—Co2—C21—C25	37.1 (4)	C44^ii—Co4—C42—C41	79.5 (6)
C29—Co2—C21—C22	94.7 (5)	C44—Co4—C42—C41	−100.5 (6)
C210—Co2—C21—C22	57.0 (7)	C43—Co4—C42—C41	117.0 (8)
C25—Co2—C21—C22	−119.3 (6)	C43^ii—Co4—C42—C41	−63.0 (8)
C23—Co2—C21—C22	−37.9 (4)	C45—Co4—C42—C41	−143.5 (6)
C28—Co2—C21—C22	139.0 (5)	C45^ii—Co4—C42—C41	36.5 (6)
C27—Co2—C21—C22	177.1 (5)	C41^ii—Co4—C42—C41	180.0
C24—Co2—C21—C22	−82.2 (5)	C44^ii—Co4—C42—C43	−37.5 (6)
C25—C21—C22—C23	0.3 (8)	C44—Co4—C42—C43	142.5 (6)
Co2—C21—C22—C23	59.6 (5)	C43^ii—Co4—C42—C43	180.0
C25—C21—C22—Co2	−59.3 (5)	C45—Co4—C42—C43	99.5 (6)
C29—Co2—C22—C21	−102.7 (5)	C45^ii—Co4—C42—C43	−80.5 (6)
C210—Co2—C22—C21	−147.0 (5)	C41—Co4—C42—C43	−117.0 (8)
C26—Co2—C22—C21	176.4 (5)	C41^ii—Co4—C42—C43	63.0 (8)
C25—Co2—C22—C21	37.4 (4)	C41—C42—C43—C44^ii	−0.1 (9)
C23—Co2—C22—C21	119.0 (6)	Co4—C42—C43—C44^ii	60.0 (6)
C28—Co2—C22—C21	−63.1 (6)	C41—C42—C43—Co4	−60.1 (6)
C24—Co2—C22—C21	81.2 (5)	C44—Co4—C43—C44^ii	180.0
C29—Co2—C22—C23	138.3 (5)	C45—Co4—C43—C44^ii	142.7 (6)
C210—Co2—C22—C23	93.9 (5)	C45^ii—Co4—C43—C44^ii	−37.3 (6)
C26—Co2—C22—C23	57.3 (7)	C41—Co4—C43—C44^ii	−79.8 (6)
C25—Co2—C22—C23	−81.7 (5)	C41^ii—Co4—C43—C44^ii	100.2 (6)
C21—Co2—C22—C23	−119.0 (6)	C42^ii—Co4—C43—C44^ii	61.4 (8)
C28—Co2—C22—C23	177.9 (5)	C42—Co4—C43—C44^ii	−118.6 (8)
C24—Co2—C22—C23	−37.8 (4)	C44^ii—Co4—C43—C42	118.6 (8)
C21—C22—C23—C24	−0.3 (8)	C44—Co4—C43—C42	−61.4 (8)
Co2—C22—C23—C24	59.3 (5)	C45—Co4—C43—C42	−98.8 (6)
C21—C22—C23—Co2	−59.5 (5)	C45^ii—Co4—C43—C42	81.2 (6)
C29—Co2—C23—C22	−64.4 (6)	C41—Co4—C43—C42	38.8 (5)
C210—Co2—C23—C22	−103.0 (5)	C41^ii—Co4—C43—C42	−141.2 (5)
C26—Co2—C23—C22	−146.9 (4)	C42^ii—Co4—C43—C42	180.0
C25—Co2—C23—C22	81.3 (5)	C43—Co4—C44—C45	−61.0 (8)
C21—Co2—C23—C22	37.9 (4)	C43^ii—Co4—C44—C45	119.0 (8)
C27—Co2—C23—C22	176.2 (5)	C45^ii—Co4—C44—C45	180.0
C24—Co2—C23—C22	119.5 (6)	C41—Co4—C44—C45	−143.7 (6)
C29—Co2—C23—C24	176.1 (5)	C41^ii—Co4—C44—C45	36.3 (6)
C210—Co2—C23—C24	137.5 (5)	C42^ii—Co4—C44—C45	80.5 (6)
C26—Co2—C23—C24	93.6 (5)	C42—Co4—C44—C45	−99.5 (6)
C25—Co2—C23—C24	−38.2 (4)	C43—Co4—C44—C43^ii	180.0
C22—Co2—C23—C24	−119.5 (6)	C45—Co4—C44—C43^ii	−119.0 (8)
C21—Co2—C23—C24	−81.7 (5)	C45^ii—Co4—C44—C43^ii	61.0 (8)
C27—Co2—C23—C24	56.7 (7)	C41—Co4—C44—C43^ii	97.4 (6)
C22—C23—C24—C25	0.1 (8)	C41^ii—Co4—C44—C43^ii	−82.6 (6)
Co2—C23—C24—C25	59.0 (5)	C42^ii—Co4—C44—C43^ii	−38.5 (6)
C22—C23—C24—Co2	−58.9 (5)	C42—Co4—C44—C43^ii	141.5 (6)
C210—Co2—C24—C25	177.0 (4)	C43^ii—C44—C45—C41^ii	0.2 (10)
C26—Co2—C24—C25	138.4 (4)	Co4—C44—C45—C41^ii	−59.9 (6)
C22—Co2—C24—C25	−80.6 (5)	C43^ii—C44—C45—Co4	60.1 (6)
C21—Co2—C24—C25	−36.7 (4)	C44^ii—Co4—C45—C41^ii	−59.8 (8)
C23—Co2—C24—C25	−118.2 (6)	C44—Co4—C45—C41^ii	120.2 (8)
C28—Co2—C24—C25	59.0 (7)	C43—Co4—C45—C41^ii	−97.4 (6)
C27—Co2—C24—C25	95.0 (5)	C43^ii—Co4—C45—C41^ii	82.6 (6)
C210—Co2—C24—C23	−64.8 (6)	C41—Co4—C45—C41^ii	180.0
C26—Co2—C24—C23	−103.4 (5)	C42^ii—Co4—C45—C41^ii	37.9 (6)
C25—Co2—C24—C23	118.2 (6)	C42—Co4—C45—C41^ii	−142.1 (6)
C22—Co2—C24—C23	37.6 (4)	C44^ii—Co4—C45—C44	180.0
C21—Co2—C24—C23	81.5 (5)	C43—Co4—C45—C44	142.4 (6)
C28—Co2—C24—C23	177.2 (5)	C43^ii—Co4—C45—C44	−37.6 (6)
C27—Co2—C24—C23	−146.8 (5)	C41—Co4—C45—C44	59.8 (8)
C22—C21—C25—C24	−0.2 (8)	C41^ii—Co4—C45—C44	−120.2 (8)
Co2—C21—C25—C24	−59.4 (5)	C42^ii—Co4—C45—C44	−82.3 (6)
C22—C21—C25—Co2	59.2 (5)	C42—Co4—C45—C44	97.7 (6)
C23—C24—C25—C21	0.1 (8)	O13—S1—C1—F13	178.0 (6)
Co2—C24—C25—C21	59.2 (5)	O12—S1—C1—F13	−61.4 (6)
C23—C24—C25—Co2	−59.1 (5)	O11—S1—C1—F13	57.9 (6)
C29—Co2—C25—C21	57.9 (7)	O13—S1—C1—F12	57.0 (6)
C26—Co2—C25—C21	176.1 (5)	O12—S1—C1—F12	177.6 (5)
C22—Co2—C25—C21	−37.8 (4)	O11—S1—C1—F12	−63.1 (6)
C23—Co2—C25—C21	−82.0 (5)	O13—S1—C1—F11	−62.1 (6)
C28—Co2—C25—C21	94.8 (5)	O12—S1—C1—F11	58.5 (6)
C27—Co2—C25—C21	138.0 (5)	O11—S1—C1—F11	177.8 (5)
C24—Co2—C25—C21	−120.5 (6)	O23—S2—C2—F22	59.5 (6)
C29—Co2—C25—C24	178.5 (5)	O22—S2—C2—F22	179.7 (5)
C26—Co2—C25—C24	−63.3 (6)	O21—S2—C2—F22	−60.8 (6)
C22—Co2—C25—C24	82.7 (5)	O23—S2—C2—F23	179.1 (5)
C21—Co2—C25—C24	120.5 (6)	O22—S2—C2—F23	−60.6 (6)
C23—Co2—C25—C24	38.6 (4)	O21—S2—C2—F23	58.9 (6)
C28—Co2—C25—C24	−144.7 (5)	O23—S2—C2—F21	−61.6 (6)
C27—Co2—C25—C24	−101.5 (5)	O22—S2—C2—F21	58.7 (6)
C29—Co2—C26—C27	81.5 (5)	O21—S2—C2—F21	178.2 (5)
C210—Co2—C26—C27	120.3 (7)	O31—S3—C3—F32	−58.8 (6)
C25—Co2—C26—C27	−63.5 (6)	O32—S3—C3—F32	−178.7 (6)
C22—Co2—C26—C27	177.2 (5)	O33—S3—C3—F32	61.0 (6)
C23—Co2—C26—C27	−145.9 (5)	O31—S3—C3—F33	64.0 (6)
C28—Co2—C26—C27	37.0 (5)	O32—S3—C3—F33	−55.9 (6)
C24—Co2—C26—C27	−101.7 (5)	O33—S3—C3—F33	−176.2 (5)
C29—Co2—C26—C210	−38.7 (5)	O31—S3—C3—F31	−178.0 (5)
C25—Co2—C26—C210	176.3 (5)	O32—S3—C3—F31	62.1 (6)
C22—Co2—C26—C210	56.9 (7)	O33—S3—C3—F31	−58.1 (6)
C23—Co2—C26—C210	93.8 (5)

Symmetry codes: (i) −x, −y+1, −z; (ii) −x, −y, −z.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
C11—H11···O12^iii	0.95	2.43	3.285 (10)	149
C16—H16···O22^iv	0.95	2.56	3.474 (11)	161
C17—H17···O31^iv	0.95	2.48	3.203 (10)	133
C19—H19···O13^iii	0.95	2.56	3.429 (10)	152
C21—H21···O21^v	0.95	2.58	3.221 (10)	125
C23—H23···O11^v	0.95	2.43	3.347 (10)	162
C24—H24···O33^vi	0.95	2.55	3.465 (10)	161
C26—H26···O31^vi	0.95	2.57	3.249 (10)	128
C28—H28···O21^vii	0.95	2.36	3.243 (10)	154
C29—H29···O22^v	0.95	2.57	3.438 (11)	152
C32—H32···O33^iii	0.95	2.47	3.245 (10)	138
C41—H41···O12^iv	0.95	2.53	3.332 (12)	142
C42—H42···O32^iii	0.95	2.45	3.334 (11)	155
C210—H210···O12^v	0.95	2.57	3.425 (9)	151

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