(2-Amino­ethanesulfonato-κ²N,O)bis­(1,10-phenanthroline-κ²N,N′)cobalt(II) perchlorate monohydrate

In the title compound, [Co(C₂H₆NO₃S)(C₁₂H₈N₂)₂]ClO₄·H₂O, the two independent complex octa­hedral cations in the asymmetric unit are linked by N—H...O hydrogen bonds into a chain that propagates along b. The perchlorate anions and disordered uncoordinated water mol­ecules, two of each in the asymmetric unit, are situated in the voids between the chains, and probably inter­act with them by way of hydrogen bonds.

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean [sigma](C-C) = 0.006 Å
• H-atom completeness 92%
• Disorder in solvent or counterion
• R factor = 0.050
• wR factor = 0.131
• Data-to-parameter ratio = 12.1

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT430_ALERT_2_B Short Inter D...A Contact  O3     ..  O1E     ..       2.64 Ang.
PLAT430_ALERT_2_B Short Inter D...A Contact  O3     ..  O1D     ..       2.72 Ang.
PLAT430_ALERT_2_B Short Inter D...A Contact  O13    ..  O1B     ..       2.82 Ang.

Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.50 Ratio
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.92
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.30
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        Cl1
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        Cl2
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      12.00 Perc.
PLAT311_ALERT_2_C Isolated Disordered Oxygen Atom (No H's ?) .....       <O1D
PLAT311_ALERT_2_C Isolated Disordered Oxygen Atom (No H's ?) .....       <O1E
PLAT311_ALERT_2_C Isolated Disordered Oxygen Atom (No H's ?) .....       <O1F
PLAT311_ALERT_2_C Isolated Disordered Oxygen Atom (No H's ?) .....       <O1G
PLAT311_ALERT_2_C Isolated Disordered Oxygen Atom (No H's ?) .....       <O1A
PLAT311_ALERT_2_C Isolated Disordered Oxygen Atom (No H's ?) .....       <O1B
PLAT311_ALERT_2_C Isolated Disordered Oxygen Atom (No H's ?) .....       <O1C
PLAT432_ALERT_2_C Short Inter X...Y Contact  C40    ..  O1E     ..       2.99 Ang.

Alert level G
FORMU01_ALERT_2_G  There is a discrepancy between the atom counts in the
            _chemical_formula_sum and the formula from the _atom_site* data.
            Atom count from _chemical_formula_sum:C26 H24 Cl1 Co1 N5 O8 S1
            Atom count from the _atom_site data:  C26 H22 Cl1 Co1 N5 O8 S1
ABSTM02_ALERT_3_G  When printed, the submitted absorption T values will be
            replaced by the scaled T values. Since the ratio of scaled T's
            is identical to the ratio of reported T values, the scaling
            does not imply a change to the absorption corrections used in
            the study.
            Ratio of Tmax expected/reported      0.918
            Tmax scaled      0.918 Tmin scaled      0.786
CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected.
CELLZ01_ALERT_1_G WARNING: H atoms missing from atom site list. Is this intentional?
           From the CIF: _cell_formula_units_Z    8
           From the CIF: _chemical_formula_sum  C26 H24 Cl Co N5 O8 S
           TEST: Compare cell contents of formula and atom_site data

           atom    Z*formula  cif sites diff
           C        208.00    208.00    0.00
           H        192.00    176.00   16.00
           Cl         8.00      8.00    0.00
           Co         8.00      8.00    0.00
           N         40.00     40.00    0.00
           O         64.00     64.00    0.00
           S          8.00      8.00    0.00
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K

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

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

---

Computing details

Data collection: CrystalClear (Rigaku/MSC, 2000); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: SHELXL97.

(2-Aminoethanesulfonate-κ²N,O)bis(1,10-phenanthroline- κ²N,N')cobalt(II) perchlorate monohydrate

Crystal data

[Co(C2H6NO3S)(C12H8N2)2]ClO4·H2O	F(000) = 2712
Mr = 660.94	Dx = 1.592 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 15548 reflections
a = 21.737 (4) Å	θ = 1.9–25.0°
b = 12.494 (2) Å	µ = 0.86 mm^−1
c = 22.115 (4) Å	T = 293 K
β = 113.346 (2)°	Prism, orange
V = 5514 (2) Å^3	0.18 × 0.12 × 0.10 mm
Z = 8

Data collection

Rigaku Mercury area-detector diffractometer	9720 independent reflections
Radiation source: fine-focus sealed tube	8671 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.037
ω scans	θmax = 25.0°, θmin = 1.9°
Absorption correction: multi-scan (Jacobson, 1998)	h = −25→25
Tmin = 0.856, Tmax = 1.000	k = −14→13
34443 measured reflections	l = −25→26

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)] = 0.050	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.131	H-atom parameters constrained
S = 1.16	w = 1/[σ^2(Fo^2) + (0.0568P)^2 + 9.8438P] where P = (Fo^2 + 2Fc^2)/3
9720 reflections	(Δ/σ)max = 0.001
802 parameters	Δρmax = 0.92 e Å^−3
42 restraints	Δρmin = −0.40 e Å^−3

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
Co1	0.32789 (2)	0.22149 (4)	0.41647 (2)	0.01379 (13)
Co2	0.20340 (2)	0.71564 (4)	0.59598 (2)	0.01511 (13)
Cl1	0.51712 (4)	0.12557 (7)	0.65962 (5)	0.0244 (2)
Cl2	0.09707 (5)	0.87882 (8)	0.76471 (5)	0.0284 (2)
S1	0.29098 (4)	0.01556 (7)	0.48129 (4)	0.01663 (19)
S2	0.22490 (4)	0.50668 (7)	0.51532 (4)	0.01608 (19)
O1	0.32732 (12)	0.05935 (19)	0.44253 (12)	0.0191 (5)
O2	0.30699 (13)	−0.0958 (2)	0.49781 (13)	0.0239 (6)
O3	0.21924 (12)	0.0364 (2)	0.44940 (13)	0.0246 (6)
O4	0.22762 (14)	0.5629 (2)	0.57473 (12)	0.0244 (6)
O5	0.18782 (13)	0.4068 (2)	0.50589 (13)	0.0245 (6)
O6	0.29142 (13)	0.4939 (2)	0.51564 (14)	0.0291 (6)
O7	0.46906 (15)	0.2116 (2)	0.63704 (17)	0.0439 (9)
O8	0.58093 (15)	0.1620 (3)	0.66327 (17)	0.0438 (8)
O9	0.49460 (15)	0.0371 (2)	0.61462 (15)	0.0362 (7)
O10	0.52359 (16)	0.0907 (2)	0.72366 (15)	0.0368 (7)
O11	0.16071 (16)	0.8380 (3)	0.7714 (2)	0.0513 (10)
O12	0.1034 (2)	0.9913 (3)	0.7777 (2)	0.0554 (10)
O13	0.07615 (16)	0.8276 (3)	0.81207 (15)	0.0414 (8)
O14	0.04909 (17)	0.8567 (4)	0.70015 (17)	0.0597 (11)
O1A	0.0473 (4)	0.8803 (6)	0.4406 (4)	0.029 (2)	0.33
O1B	0.0371 (3)	0.8133 (5)	0.3900 (3)	0.0233 (14)	0.41
O1C	0.0462 (6)	0.8998 (11)	0.3797 (6)	0.029 (3)	0.22
O1D	0.0987 (4)	0.9969 (7)	0.4556 (5)	0.025 (2)	0.30
O1E	0.1300 (5)	1.0473 (7)	0.5025 (5)	0.025 (2)	0.29
O1F	0.0951 (6)	1.1416 (10)	0.4949 (6)	0.028 (3)	0.24
O1G	0.0681 (6)	1.0929 (11)	0.4621 (7)	0.024 (3)	0.21
N1	0.32226 (14)	0.1663 (2)	0.32191 (14)	0.0146 (6)
N2	0.22293 (14)	0.2285 (2)	0.35841 (14)	0.0161 (6)
N3	0.34223 (14)	0.3854 (2)	0.39326 (14)	0.0166 (6)
N4	0.43432 (14)	0.2328 (2)	0.45089 (14)	0.0168 (6)
N5	0.33503 (15)	0.2654 (2)	0.51325 (14)	0.0169 (6)
H51	0.3770	0.2670	0.5382	0.020*
H52	0.3209	0.3303	0.5103	0.020*
N6	0.21120 (15)	0.6573 (2)	0.68991 (15)	0.0177 (6)
N7	0.10205 (15)	0.6676 (2)	0.57533 (15)	0.0192 (7)
N8	0.19226 (15)	0.8741 (2)	0.62618 (15)	0.0192 (7)
N9	0.30467 (15)	0.7703 (2)	0.63624 (15)	0.0171 (6)
N10	0.19046 (15)	0.7710 (2)	0.49941 (15)	0.0185 (6)
H101	0.1488	0.7866	0.4788	0.022*
H102	0.2124	0.8299	0.5047	0.022*
C1	0.25868 (17)	0.1662 (3)	0.27487 (17)	0.0155 (7)
C2	0.37114 (18)	0.1329 (3)	0.30532 (19)	0.0207 (8)
H2	0.4145	0.1304	0.3376	0.025*
C3	0.36063 (19)	0.1012 (3)	0.24146 (19)	0.0240 (8)
H3	0.3965	0.0795	0.2315	0.029*
C4	0.29702 (19)	0.1025 (3)	0.19365 (19)	0.0227 (8)
H4	0.2892	0.0817	0.1508	0.027*
C5	0.24370 (18)	0.1354 (3)	0.20986 (18)	0.0187 (8)
C6	0.17483 (19)	0.1364 (3)	0.16292 (18)	0.0218 (8)
H6	0.1646	0.1165	0.1195	0.026*
C7	0.12508 (18)	0.1660 (3)	0.18154 (18)	0.0219 (8)
H7	0.0811	0.1667	0.1505	0.026*
C8	0.13890 (17)	0.1964 (3)	0.24824 (18)	0.0174 (7)
C9	0.08861 (18)	0.2242 (3)	0.27034 (19)	0.0216 (8)
H9	0.0438	0.2230	0.2415	0.026*
C10	0.10630 (18)	0.2531 (3)	0.33459 (19)	0.0217 (8)
H10	0.0734	0.2709	0.3498	0.026*
C11	0.17396 (18)	0.2560 (3)	0.37746 (18)	0.0180 (8)
H11	0.1852	0.2778	0.4207	0.022*
C12	0.20562 (17)	0.1982 (3)	0.29475 (17)	0.0144 (7)
C13	0.40749 (18)	0.4107 (3)	0.40774 (17)	0.0171 (7)
C14	0.29616 (19)	0.4618 (3)	0.36648 (18)	0.0213 (8)
H14	0.2514	0.4455	0.3560	0.026*
C15	0.3126 (2)	0.5658 (3)	0.35349 (19)	0.0253 (9)
H15	0.2794	0.6173	0.3357	0.030*
C16	0.3786 (2)	0.5902 (3)	0.36745 (19)	0.0261 (9)
H16	0.3902	0.6582	0.3585	0.031*
C17	0.42835 (19)	0.5118 (3)	0.39529 (18)	0.0212 (8)
C18	0.4979 (2)	0.5304 (3)	0.4114 (2)	0.0271 (9)
H18	0.5117	0.5967	0.4023	0.033*
C19	0.5441 (2)	0.4530 (3)	0.4398 (2)	0.0267 (9)
H19	0.5890	0.4672	0.4498	0.032*
C20	0.52478 (18)	0.3495 (3)	0.45465 (18)	0.0213 (8)
C21	0.57056 (19)	0.2661 (3)	0.48466 (19)	0.0259 (9)
H21	0.6161	0.2763	0.4957	0.031*
C22	0.54769 (19)	0.1702 (3)	0.49752 (19)	0.0255 (9)
H22	0.5774	0.1148	0.5176	0.031*
C23	0.47920 (18)	0.1571 (3)	0.48003 (18)	0.0204 (8)
H23	0.4641	0.0919	0.4892	0.025*
C24	0.45658 (17)	0.3291 (3)	0.43820 (17)	0.0169 (7)
C25	0.30194 (19)	0.2050 (3)	0.54983 (18)	0.0208 (8)
H25A	0.2537	0.2121	0.5271	0.025*
H25B	0.3149	0.2357	0.5934	0.025*
C26	0.32041 (19)	0.0872 (3)	0.55628 (17)	0.0194 (8)
H26A	0.3026	0.0539	0.5856	0.023*
H26B	0.3688	0.0810	0.5767	0.023*
C27	0.15161 (18)	0.6247 (3)	0.69033 (18)	0.0173 (7)
C28	0.26521 (19)	0.6516 (3)	0.74594 (18)	0.0203 (8)
H28	0.3061	0.6738	0.7460	0.024*
C29	0.2635 (2)	0.6138 (3)	0.8049 (2)	0.0267 (9)
H29	0.3025	0.6106	0.8430	0.032*
C30	0.2035 (2)	0.5817 (3)	0.8057 (2)	0.0263 (9)
H30	0.2014	0.5571	0.8446	0.032*
C31	0.1453 (2)	0.5864 (3)	0.7475 (2)	0.0232 (8)
C32	0.0805 (2)	0.5531 (3)	0.7434 (2)	0.0297 (10)
H32	0.0759	0.5289	0.7812	0.036*
C33	0.0264 (2)	0.5562 (3)	0.6860 (2)	0.0305 (10)
H33	−0.0147	0.5331	0.6848	0.037*
C34	0.03074 (19)	0.5941 (3)	0.6270 (2)	0.0242 (9)
C35	−0.02409 (19)	0.6002 (3)	0.5663 (2)	0.0290 (9)
H35	−0.0663	0.5783	0.5627	0.035*
C36	−0.0153 (2)	0.6385 (4)	0.5125 (2)	0.0328 (10)
H36	−0.0514	0.6426	0.4720	0.039*
C37	0.04859 (18)	0.6718 (3)	0.51856 (19)	0.0246 (9)
H37	0.0538	0.6978	0.4815	0.029*
C38	0.09382 (18)	0.6291 (3)	0.62919 (19)	0.0186 (8)
C39	0.25145 (19)	0.9243 (3)	0.65895 (18)	0.0189 (8)
C40	0.1366 (2)	0.9236 (3)	0.6207 (2)	0.0299 (9)
H40	0.0958	0.8894	0.5982	0.036*
C41	0.1363 (2)	1.0254 (3)	0.6472 (2)	0.0350 (10)
H41	0.0961	1.0578	0.6425	0.042*
C42	0.1959 (2)	1.0761 (3)	0.6801 (2)	0.0296 (9)
H42	0.1965	1.1436	0.6980	0.036*
C43	0.2560 (2)	1.0268 (3)	0.68687 (18)	0.0215 (8)
C44	0.3201 (2)	1.0747 (3)	0.71951 (19)	0.0255 (9)
H44	0.3230	1.1423	0.7381	0.031*
C45	0.3769 (2)	1.0244 (3)	0.72424 (18)	0.0246 (9)
H45	0.4181	1.0580	0.7457	0.030*
C46	0.37444 (19)	0.9191 (3)	0.69631 (18)	0.0218 (8)
C47	0.43126 (19)	0.8631 (3)	0.69856 (19)	0.0261 (9)
H47	0.4736	0.8933	0.7191	0.031*
C48	0.42411 (19)	0.7637 (3)	0.67046 (19)	0.0254 (9)
H48	0.4615	0.7258	0.6718	0.030*
C49	0.35977 (18)	0.7198 (3)	0.63964 (19)	0.0211 (8)
H49	0.3554	0.6522	0.6207	0.025*
C50	0.31185 (18)	0.8696 (3)	0.66391 (17)	0.0166 (7)
C51	0.20970 (19)	0.7027 (3)	0.45454 (18)	0.0206 (8)
H51A	0.2581	0.6972	0.4716	0.025*
H51B	0.1944	0.7362	0.4115	0.025*
C52	0.17966 (19)	0.5911 (3)	0.44770 (18)	0.0205 (8)
H52A	0.1788	0.5587	0.4075	0.025*
H52B	0.1338	0.5970	0.4438	0.025*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Co1	0.0132 (2)	0.0139 (3)	0.0133 (2)	−0.00051 (18)	0.00413 (19)	−0.00013 (18)
Co2	0.0160 (3)	0.0133 (3)	0.0165 (3)	−0.00167 (19)	0.0070 (2)	−0.00190 (19)
Cl1	0.0194 (4)	0.0211 (5)	0.0268 (5)	−0.0027 (4)	0.0027 (4)	0.0027 (4)
Cl2	0.0203 (5)	0.0300 (5)	0.0334 (5)	−0.0006 (4)	0.0093 (4)	−0.0060 (4)
S1	0.0176 (4)	0.0146 (4)	0.0186 (4)	−0.0016 (3)	0.0080 (4)	−0.0011 (3)
S2	0.0167 (4)	0.0140 (4)	0.0163 (4)	0.0008 (3)	0.0051 (3)	−0.0019 (3)
O1	0.0259 (14)	0.0138 (13)	0.0212 (13)	−0.0017 (10)	0.0131 (11)	−0.0018 (10)
O2	0.0287 (14)	0.0143 (13)	0.0325 (16)	−0.0021 (11)	0.0163 (12)	0.0018 (11)
O3	0.0160 (13)	0.0306 (15)	0.0258 (14)	−0.0009 (11)	0.0069 (11)	−0.0024 (12)
O4	0.0393 (16)	0.0164 (13)	0.0161 (13)	0.0052 (12)	0.0094 (12)	−0.0005 (11)
O5	0.0281 (14)	0.0164 (14)	0.0250 (15)	−0.0031 (11)	0.0063 (12)	−0.0012 (11)
O6	0.0201 (14)	0.0268 (15)	0.0405 (17)	0.0044 (12)	0.0120 (12)	0.0032 (13)
O7	0.0291 (17)	0.0276 (17)	0.057 (2)	0.0076 (13)	−0.0023 (15)	0.0016 (15)
O8	0.0265 (16)	0.048 (2)	0.054 (2)	−0.0120 (15)	0.0138 (15)	0.0115 (17)
O9	0.0437 (18)	0.0268 (16)	0.0312 (17)	−0.0026 (14)	0.0076 (14)	−0.0064 (13)
O10	0.0491 (19)	0.0337 (17)	0.0279 (16)	−0.0077 (14)	0.0157 (14)	0.0028 (13)
O11	0.0285 (17)	0.043 (2)	0.082 (3)	0.0078 (15)	0.0221 (18)	−0.0118 (19)
O12	0.083 (3)	0.0240 (17)	0.089 (3)	0.0069 (17)	0.066 (2)	−0.0020 (18)
O13	0.0380 (18)	0.049 (2)	0.0319 (17)	−0.0138 (15)	0.0082 (14)	0.0019 (15)
O14	0.0376 (19)	0.101 (3)	0.0323 (19)	−0.025 (2)	0.0049 (15)	0.005 (2)
O1A	0.024 (4)	0.025 (4)	0.045 (5)	0.010 (3)	0.023 (4)	0.026 (4)
O1B	0.026 (3)	0.025 (4)	0.018 (3)	−0.007 (3)	0.008 (3)	0.005 (3)
O1C	0.027 (6)	0.036 (7)	0.020 (6)	0.012 (5)	0.007 (5)	−0.002 (5)
O1D	0.013 (4)	0.017 (4)	0.047 (5)	0.001 (3)	0.014 (4)	0.000 (4)
O1E	0.030 (5)	0.022 (4)	0.035 (5)	0.011 (4)	0.026 (4)	0.007 (4)
O1F	0.031 (6)	0.032 (6)	0.033 (6)	0.015 (5)	0.027 (5)	0.007 (5)
O1G	0.013 (5)	0.031 (6)	0.026 (6)	−0.001 (5)	0.005 (5)	0.004 (5)
N1	0.0151 (14)	0.0133 (15)	0.0159 (15)	−0.0002 (12)	0.0068 (12)	0.0021 (12)
N2	0.0167 (15)	0.0159 (16)	0.0151 (15)	−0.0005 (12)	0.0056 (12)	−0.0005 (12)
N3	0.0168 (15)	0.0174 (16)	0.0142 (15)	0.0005 (12)	0.0047 (12)	−0.0008 (12)
N4	0.0164 (15)	0.0194 (16)	0.0128 (15)	0.0001 (12)	0.0040 (12)	−0.0012 (12)
N5	0.0190 (15)	0.0127 (15)	0.0172 (15)	0.0004 (12)	0.0054 (12)	−0.0006 (12)
N6	0.0205 (16)	0.0146 (15)	0.0172 (16)	−0.0010 (12)	0.0068 (13)	−0.0029 (12)
N7	0.0196 (16)	0.0158 (16)	0.0209 (16)	−0.0021 (13)	0.0067 (13)	−0.0024 (13)
N8	0.0183 (16)	0.0176 (16)	0.0248 (17)	−0.0010 (13)	0.0117 (13)	−0.0035 (13)
N9	0.0199 (16)	0.0157 (16)	0.0177 (16)	−0.0008 (12)	0.0095 (13)	0.0005 (12)
N10	0.0181 (15)	0.0137 (15)	0.0234 (17)	−0.0008 (12)	0.0080 (13)	−0.0009 (13)
C1	0.0180 (18)	0.0102 (17)	0.0178 (18)	−0.0018 (14)	0.0066 (14)	0.0028 (14)
C2	0.0177 (18)	0.020 (2)	0.023 (2)	0.0005 (15)	0.0074 (15)	−0.0006 (16)
C3	0.0216 (19)	0.027 (2)	0.027 (2)	0.0004 (16)	0.0138 (17)	−0.0059 (17)
C4	0.029 (2)	0.023 (2)	0.0174 (19)	−0.0055 (16)	0.0107 (16)	−0.0044 (15)
C5	0.0231 (19)	0.0159 (18)	0.0170 (18)	−0.0034 (15)	0.0077 (15)	0.0012 (15)
C6	0.024 (2)	0.026 (2)	0.0132 (18)	−0.0056 (16)	0.0041 (15)	−0.0006 (15)
C7	0.0179 (18)	0.023 (2)	0.0195 (19)	−0.0033 (16)	0.0017 (15)	0.0014 (16)
C8	0.0168 (18)	0.0164 (18)	0.0172 (18)	−0.0004 (14)	0.0047 (15)	0.0021 (14)
C9	0.0143 (18)	0.021 (2)	0.025 (2)	0.0010 (15)	0.0033 (15)	0.0027 (16)
C10	0.0170 (18)	0.024 (2)	0.025 (2)	0.0039 (16)	0.0095 (16)	0.0030 (16)
C11	0.0195 (18)	0.0186 (19)	0.0161 (18)	0.0008 (15)	0.0072 (15)	−0.0006 (15)
C12	0.0181 (18)	0.0093 (16)	0.0146 (17)	−0.0008 (13)	0.0052 (14)	0.0030 (13)
C13	0.0243 (19)	0.0149 (18)	0.0131 (17)	−0.0034 (15)	0.0084 (15)	−0.0034 (14)
C14	0.0232 (19)	0.0200 (19)	0.021 (2)	0.0045 (16)	0.0092 (16)	0.0024 (15)
C15	0.033 (2)	0.0166 (19)	0.025 (2)	0.0052 (17)	0.0105 (18)	0.0010 (16)
C16	0.043 (2)	0.0148 (19)	0.022 (2)	−0.0026 (17)	0.0144 (18)	−0.0003 (16)
C17	0.028 (2)	0.0187 (19)	0.0180 (19)	−0.0055 (16)	0.0099 (16)	−0.0046 (15)
C18	0.034 (2)	0.024 (2)	0.027 (2)	−0.0124 (18)	0.0165 (18)	−0.0049 (17)
C19	0.023 (2)	0.032 (2)	0.028 (2)	−0.0096 (18)	0.0118 (17)	−0.0086 (18)
C20	0.0196 (19)	0.026 (2)	0.0196 (19)	−0.0063 (16)	0.0093 (15)	−0.0059 (16)
C21	0.0159 (19)	0.038 (2)	0.024 (2)	−0.0035 (17)	0.0078 (16)	−0.0081 (18)
C22	0.0185 (19)	0.031 (2)	0.024 (2)	0.0039 (17)	0.0056 (16)	−0.0009 (17)
C23	0.0235 (19)	0.0181 (19)	0.0187 (19)	0.0027 (16)	0.0073 (15)	0.0007 (15)
C24	0.0175 (18)	0.0181 (19)	0.0165 (18)	−0.0044 (15)	0.0082 (14)	−0.0069 (15)
C25	0.027 (2)	0.0198 (19)	0.0177 (19)	0.0007 (16)	0.0110 (16)	−0.0020 (15)
C26	0.0235 (19)	0.0198 (19)	0.0147 (18)	−0.0001 (15)	0.0073 (15)	0.0012 (15)
C27	0.0230 (19)	0.0112 (17)	0.0207 (19)	−0.0007 (14)	0.0120 (15)	−0.0018 (14)
C28	0.0212 (19)	0.0185 (19)	0.0204 (19)	0.0022 (15)	0.0074 (15)	−0.0013 (15)
C29	0.033 (2)	0.023 (2)	0.021 (2)	0.0072 (17)	0.0069 (17)	0.0024 (16)
C30	0.037 (2)	0.023 (2)	0.022 (2)	0.0077 (18)	0.0155 (18)	0.0047 (16)
C31	0.032 (2)	0.0144 (19)	0.029 (2)	0.0028 (16)	0.0184 (18)	0.0030 (16)
C32	0.038 (2)	0.021 (2)	0.042 (3)	0.0056 (18)	0.029 (2)	0.0119 (18)
C33	0.027 (2)	0.022 (2)	0.053 (3)	−0.0011 (17)	0.027 (2)	0.005 (2)
C34	0.023 (2)	0.0138 (19)	0.040 (2)	0.0001 (15)	0.0177 (18)	−0.0013 (17)
C35	0.0149 (19)	0.028 (2)	0.045 (3)	−0.0069 (16)	0.0121 (18)	−0.0086 (19)
C36	0.021 (2)	0.038 (3)	0.031 (2)	−0.0033 (18)	0.0019 (17)	−0.009 (2)
C37	0.0207 (19)	0.030 (2)	0.021 (2)	−0.0054 (17)	0.0055 (16)	−0.0056 (17)
C38	0.0196 (18)	0.0116 (18)	0.028 (2)	−0.0013 (14)	0.0129 (16)	−0.0020 (15)
C39	0.026 (2)	0.0157 (18)	0.0188 (19)	−0.0012 (15)	0.0131 (16)	0.0003 (15)
C40	0.025 (2)	0.028 (2)	0.039 (2)	−0.0006 (18)	0.0164 (19)	−0.0078 (19)
C41	0.036 (2)	0.026 (2)	0.052 (3)	0.0065 (19)	0.026 (2)	−0.005 (2)
C42	0.045 (3)	0.017 (2)	0.037 (2)	0.0003 (18)	0.026 (2)	−0.0041 (18)
C43	0.032 (2)	0.0184 (19)	0.0181 (19)	−0.0043 (16)	0.0146 (16)	−0.0007 (15)
C44	0.041 (2)	0.0172 (19)	0.021 (2)	−0.0092 (18)	0.0144 (18)	−0.0062 (16)
C45	0.030 (2)	0.026 (2)	0.0162 (19)	−0.0131 (17)	0.0062 (16)	−0.0010 (16)
C46	0.025 (2)	0.022 (2)	0.0167 (19)	−0.0054 (16)	0.0066 (16)	0.0026 (15)
C47	0.0177 (19)	0.031 (2)	0.025 (2)	−0.0055 (17)	0.0036 (16)	0.0031 (17)
C48	0.0182 (19)	0.030 (2)	0.026 (2)	0.0029 (16)	0.0072 (16)	0.0070 (17)
C49	0.0220 (19)	0.0190 (19)	0.024 (2)	0.0017 (15)	0.0108 (16)	0.0017 (16)
C50	0.0213 (18)	0.0160 (18)	0.0131 (17)	−0.0019 (15)	0.0074 (14)	0.0006 (14)
C51	0.0245 (19)	0.0195 (19)	0.0199 (19)	−0.0015 (15)	0.0112 (16)	0.0015 (15)
C52	0.0231 (19)	0.0197 (19)	0.0152 (18)	0.0008 (15)	0.0038 (15)	0.0007 (15)

Geometric parameters (Å, º)

Co1—O1	2.108 (2)	C13—C17	1.406 (5)
Co1—N1	2.159 (3)	C13—C24	1.436 (5)
Co1—N2	2.131 (3)	C14—C15	1.406 (5)
Co1—N3	2.163 (3)	C14—H14	0.9300
Co1—N4	2.134 (3)	C15—C16	1.375 (6)
Co1—N5	2.155 (3)	C15—H15	0.9300
Co2—O4	2.082 (3)	C16—C17	1.407 (6)
Co2—N6	2.144 (3)	C16—H16	0.9300
Co2—N7	2.150 (3)	C17—C18	1.428 (5)
Co2—N8	2.133 (3)	C18—C19	1.355 (6)
Co2—N9	2.134 (3)	C18—H18	0.9300
Co2—N10	2.154 (3)	C19—C20	1.438 (6)
Cl1—O8	1.431 (3)	C19—H19	0.9300
Cl1—O10	1.434 (3)	C20—C24	1.403 (5)
Cl1—O9	1.438 (3)	C20—C21	1.411 (6)
Cl1—O7	1.443 (3)	C21—C22	1.371 (6)
Cl2—O14	1.422 (4)	C21—H21	0.9300
Cl2—O11	1.426 (3)	C22—C23	1.392 (5)
Cl2—O12	1.430 (3)	C22—H22	0.9300
Cl2—O13	1.446 (3)	C23—H23	0.9300
S1—O2	1.446 (3)	C25—C26	1.518 (5)
S1—O3	1.458 (3)	C25—H25A	0.9700
S1—O1	1.481 (3)	C25—H25B	0.9700
S1—C26	1.766 (4)	C26—H26A	0.9700
S2—O6	1.452 (3)	C26—H26B	0.9700
S2—O5	1.455 (3)	C27—C31	1.410 (5)
S2—O4	1.470 (3)	C27—C38	1.436 (5)
S2—C52	1.775 (4)	C28—C29	1.402 (5)
N1—C2	1.322 (5)	C28—H28	0.9300
N1—C1	1.361 (4)	C29—C30	1.371 (6)
N2—C11	1.335 (5)	C29—H29	0.9300
N2—C12	1.359 (5)	C30—C31	1.405 (6)
N3—C14	1.340 (5)	C30—H30	0.9300
N3—C13	1.362 (5)	C31—C32	1.435 (6)
N4—C23	1.328 (5)	C32—C33	1.346 (6)
N4—C24	1.367 (5)	C32—H32	0.9300
N5—C25	1.484 (5)	C33—C34	1.427 (6)
N5—H51	0.8600	C33—H33	0.9300
N5—H52	0.8600	C34—C35	1.400 (6)
N6—C28	1.329 (5)	C34—C38	1.421 (5)
N6—C27	1.362 (5)	C35—C36	1.365 (6)
N7—C37	1.331 (5)	C35—H35	0.9300
N7—C38	1.360 (5)	C36—C37	1.403 (6)
N8—C40	1.321 (5)	C36—H36	0.9300
N8—C39	1.355 (5)	C37—H37	0.9300
N9—C49	1.330 (5)	C39—C43	1.408 (5)
N9—C50	1.364 (5)	C39—C50	1.445 (5)
N10—C51	1.488 (5)	C40—C41	1.402 (6)
N10—H101	0.8600	C40—H40	0.9300
N10—H102	0.8600	C41—C42	1.364 (6)
C1—C5	1.396 (5)	C41—H41	0.9300
C1—C12	1.444 (5)	C42—C43	1.397 (6)
C2—C3	1.396 (5)	C42—H42	0.9300
C2—H2	0.9300	C43—C44	1.423 (6)
C3—C4	1.368 (5)	C44—C45	1.353 (6)
C3—H3	0.9300	C44—H44	0.9300
C4—C5	1.404 (5)	C45—C46	1.445 (6)
C4—H4	0.9300	C45—H45	0.9300
C5—C6	1.445 (5)	C46—C47	1.403 (6)
C6—C7	1.352 (5)	C46—C50	1.405 (5)
C6—H6	0.9300	C47—C48	1.370 (6)
C7—C8	1.435 (5)	C47—H47	0.9300
C7—H7	0.9300	C48—C49	1.402 (5)
C8—C9	1.406 (5)	C48—H48	0.9300
C8—C12	1.407 (5)	C49—H49	0.9300
C9—C10	1.365 (5)	C51—C52	1.521 (5)
C9—H9	0.9300	C51—H51A	0.9700
C10—C11	1.399 (5)	C51—H51B	0.9700
C10—H10	0.9300	C52—H52A	0.9700
C11—H11	0.9300	C52—H52B	0.9700
O1—Co1—N1	87.3 (1)	C17—C13—C24	119.5 (3)
O1—Co1—N2	94.8 (1)	N3—C14—C15	122.8 (4)
O1—Co1—N3	172.6 (1)	N3—C14—H14	118.6
O1—Co1—N4	95.1 (1)	C15—C14—H14	118.6
O1—Co1—N5	88.8 (1)	C16—C15—C14	119.1 (4)
N1—Co1—N2	78.1 (1)	C16—C15—H15	120.5
N1—Co1—N3	91.8 (1)	C14—C15—H15	120.5
N1—Co1—N4	90.2 (1)	C15—C16—C17	119.7 (4)
N1—Co1—N5	176.1 (1)	C15—C16—H16	120.1
N2—Co1—N3	92.2 (1)	C17—C16—H16	120.1
N2—Co1—N4	164.3 (1)	C13—C17—C16	117.3 (3)
N2—Co1—N5	103.1 (1)	C13—C17—C18	119.3 (4)
N3—Co1—N5	92.0 (1)	C16—C17—C18	123.4 (4)
N3—Co1—N4	77.6 (1)	C19—C18—C17	121.0 (4)
N4—Co1—N5	89.3 (1)	C19—C18—H18	119.5
O4—Co2—N6	88.7 (1)	C17—C18—H18	119.5
O4—Co2—N7	91.5 (1)	C18—C19—C20	121.3 (4)
O4—Co2—N8	172.4 (1)	C18—C19—H19	119.4
O4—Co2—N9	94.4 (1)	C20—C19—H19	119.4
O4—Co2—N10	90.9 (1)	C24—C20—C21	117.6 (3)
N6—Co2—N7	78.0 (1)	C24—C20—C19	118.6 (4)
N6—Co2—N8	89.3 (1)	C21—C20—C19	123.8 (3)
N6—Co2—N9	91.9 (1)	C22—C21—C20	119.8 (3)
N6—Co2—N10	177.1 (1)	C22—C21—H21	120.1
N7—Co2—N8	95.3 (1)	C20—C21—H21	120.1
N7—Co2—N9	168.2 (1)	C21—C22—C23	118.8 (4)
N7—Co2—N10	99.1 (1)	C21—C22—H22	120.6
N8—Co2—N9	78.4 (1)	C23—C22—H22	120.6
N8—Co2—N10	91.5 (1)	N4—C23—C22	123.4 (4)
N9—Co2—N10	91.1 (1)	N4—C23—H23	118.3
O8—Cl1—O10	109.10 (19)	C22—C23—H23	118.3
O8—Cl1—O9	109.9 (2)	N4—C24—C20	122.0 (3)
O10—Cl1—O9	108.87 (19)	N4—C24—C13	117.6 (3)
O8—Cl1—O7	109.6 (2)	C20—C24—C13	120.4 (3)
O10—Cl1—O7	110.0 (2)	N5—C25—C26	112.2 (3)
O9—Cl1—O7	109.39 (19)	N5—C25—H25A	109.2
O14—Cl2—O11	109.2 (2)	C26—C25—H25A	109.2
O14—Cl2—O12	111.5 (3)	N5—C25—H25B	109.2
O11—Cl2—O12	108.5 (2)	C26—C25—H25B	109.2
O14—Cl2—O13	109.0 (2)	H25A—C25—H25B	107.9
O11—Cl2—O13	109.7 (2)	C25—C26—S1	114.8 (3)
O12—Cl2—O13	108.8 (2)	C25—C26—H26A	108.6
O2—S1—O3	113.50 (16)	S1—C26—H26A	108.6
O2—S1—O1	111.82 (15)	C25—C26—H26B	108.6
O3—S1—O1	111.55 (16)	S1—C26—H26B	108.6
O2—S1—C26	106.80 (17)	H26A—C26—H26B	107.5
O3—S1—C26	106.46 (17)	N6—C27—C31	122.7 (3)
O1—S1—C26	106.17 (16)	N6—C27—C38	117.5 (3)
O6—S2—O5	113.60 (16)	C31—C27—C38	119.9 (3)
O6—S2—O4	111.15 (17)	N6—C28—C29	123.1 (4)
O5—S2—O4	111.20 (16)	N6—C28—H28	118.4
O6—S2—C52	106.71 (17)	C29—C28—H28	118.4
O5—S2—C52	107.39 (16)	C30—C29—C28	119.1 (4)
O4—S2—C52	106.35 (16)	C30—C29—H29	120.4
S1—O1—Co1	125.14 (15)	C28—C29—H29	120.4
S2—O4—Co2	135.66 (16)	C29—C30—C31	119.5 (4)
C2—N1—C1	118.2 (3)	C29—C30—H30	120.2
C2—N1—Co1	128.8 (2)	C31—C30—H30	120.2
C1—N1—Co1	113.0 (2)	C30—C31—C27	117.6 (4)
C11—N2—C12	118.1 (3)	C30—C31—C32	123.5 (4)
C11—N2—Co1	128.1 (2)	C27—C31—C32	118.9 (4)
C12—N2—Co1	113.8 (2)	C33—C32—C31	121.3 (4)
C14—N3—C13	117.7 (3)	C33—C32—H32	119.4
C14—N3—Co1	128.8 (2)	C31—C32—H32	119.4
C13—N3—Co1	113.5 (2)	C32—C33—C34	121.6 (4)
C23—N4—C24	118.4 (3)	C32—C33—H33	119.2
C23—N4—Co1	127.6 (3)	C34—C33—H33	119.2
C24—N4—Co1	114.0 (2)	C35—C34—C38	117.4 (4)
C25—N5—Co1	123.5 (2)	C35—C34—C33	123.8 (4)
C25—N5—H51	106.5	C38—C34—C33	118.8 (4)
Co1—N5—H51	106.5	C36—C35—C34	119.6 (4)
C25—N5—H52	106.5	C36—C35—H35	120.2
Co1—N5—H52	106.5	C34—C35—H35	120.2
H51—N5—H52	106.5	C35—C36—C37	119.7 (4)
C28—N6—C27	118.0 (3)	C35—C36—H36	120.1
C28—N6—Co2	128.6 (3)	C37—C36—H36	120.1
C27—N6—Co2	113.5 (2)	N7—C37—C36	122.6 (4)
C37—N7—C38	118.1 (3)	N7—C37—H37	118.7
C37—N7—Co2	128.8 (3)	C36—C37—H37	118.7
C38—N7—Co2	113.1 (2)	N7—C38—C34	122.6 (3)
C40—N8—C39	118.3 (3)	N7—C38—C27	117.9 (3)
C40—N8—Co2	128.2 (3)	C34—C38—C27	119.5 (3)
C39—N8—Co2	113.3 (2)	N8—C39—C43	122.8 (3)
C49—N9—C50	117.8 (3)	N8—C39—C50	117.6 (3)
C49—N9—Co2	128.9 (3)	C43—C39—C50	119.6 (3)
C50—N9—Co2	113.2 (2)	N8—C40—C41	122.8 (4)
C51—N10—Co2	121.1 (2)	N8—C40—H40	118.6
C51—N10—H101	107.1	C41—C40—H40	118.6
Co2—N10—H101	107.1	C42—C41—C40	118.9 (4)
C51—N10—H102	107.1	C42—C41—H41	120.6
Co2—N10—H102	107.1	C40—C41—H41	120.6
H101—N10—H102	106.8	C41—C42—C43	120.2 (4)
N1—C1—C5	122.6 (3)	C41—C42—H42	119.9
N1—C1—C12	117.3 (3)	C43—C42—H42	119.9
C5—C1—C12	120.1 (3)	C42—C43—C39	117.0 (4)
N1—C2—C3	122.9 (3)	C42—C43—C44	123.8 (4)
N1—C2—H2	118.5	C39—C43—C44	119.3 (4)
C3—C2—H2	118.5	C45—C44—C43	121.7 (4)
C4—C3—C2	119.3 (3)	C45—C44—H44	119.2
C4—C3—H3	120.4	C43—C44—H44	119.2
C2—C3—H3	120.4	C44—C45—C46	120.7 (4)
C3—C4—C5	119.3 (4)	C44—C45—H45	119.6
C3—C4—H4	120.3	C46—C45—H45	119.6
C5—C4—H4	120.3	C47—C46—C50	117.3 (4)
C1—C5—C4	117.7 (3)	C47—C46—C45	123.7 (4)
C1—C5—C6	119.3 (3)	C50—C46—C45	118.9 (3)
C4—C5—C6	123.0 (3)	C48—C47—C46	119.8 (4)
C7—C6—C5	120.6 (3)	C48—C47—H47	120.1
C7—C6—H6	119.7	C46—C47—H47	120.1
C5—C6—H6	119.7	C47—C48—C49	119.1 (4)
C6—C7—C8	121.2 (3)	C47—C48—H48	120.4
C6—C7—H7	119.4	C49—C48—H48	120.4
C8—C7—H7	119.4	N9—C49—C48	123.0 (4)
C9—C8—C12	117.4 (3)	N9—C49—H49	118.5
C9—C8—C7	123.2 (3)	C48—C49—H49	118.5
C12—C8—C7	119.4 (3)	N9—C50—C46	123.0 (3)
C10—C9—C8	119.3 (3)	N9—C50—C39	117.2 (3)
C10—C9—H9	120.3	C46—C50—C39	119.8 (3)
C8—C9—H9	120.3	N10—C51—C52	111.6 (3)
C9—C10—C11	119.9 (3)	N10—C51—H51A	109.3
C9—C10—H10	120.0	C52—C51—H51A	109.3
C11—C10—H10	120.0	N10—C51—H51B	109.3
N2—C11—C10	122.3 (3)	C52—C51—H51B	109.3
N2—C11—H11	118.8	H51A—C51—H51B	108.0
C10—C11—H11	118.8	C51—C52—S2	112.8 (3)
N2—C12—C8	122.9 (3)	C51—C52—H52A	109.0
N2—C12—C1	117.8 (3)	S2—C52—H52A	109.0
C8—C12—C1	119.3 (3)	C51—C52—H52B	109.0
N3—C13—C17	123.3 (3)	S2—C52—H52B	109.0
N3—C13—C24	117.2 (3)	H52A—C52—H52B	107.8
O2—S1—O1—Co1	−172.95 (16)	N1—C1—C12—N2	1.6 (5)
O3—S1—O1—Co1	58.7 (2)	C5—C1—C12—N2	−179.3 (3)
C26—S1—O1—Co1	−56.8 (2)	N1—C1—C12—C8	−178.2 (3)
N2—Co1—O1—S1	−62.73 (19)	C5—C1—C12—C8	0.9 (5)
N4—Co1—O1—S1	129.48 (19)	C14—N3—C13—C17	−0.8 (5)
N5—Co1—O1—S1	40.30 (19)	Co1—N3—C13—C17	178.4 (3)
N1—Co1—O1—S1	−140.53 (19)	C14—N3—C13—C24	178.2 (3)
O6—S2—O4—Co2	106.2 (2)	Co1—N3—C13—C24	−2.6 (4)
O5—S2—O4—Co2	−126.2 (2)	C13—N3—C14—C15	−0.5 (5)
C52—S2—O4—Co2	−9.6 (3)	Co1—N3—C14—C15	−179.5 (3)
N9—Co2—O4—S2	−101.7 (3)	N3—C14—C15—C16	1.4 (6)
N6—Co2—O4—S2	166.6 (3)	C14—C15—C16—C17	−1.0 (6)
N7—Co2—O4—S2	88.6 (3)	N3—C13—C17—C16	1.1 (5)
N10—Co2—O4—S2	−10.5 (3)	C24—C13—C17—C16	−177.9 (3)
O1—Co1—N1—C2	−82.2 (3)	N3—C13—C17—C18	−179.2 (3)
N2—Co1—N1—C2	−177.7 (3)	C24—C13—C17—C18	1.9 (5)
N4—Co1—N1—C2	12.9 (3)	C15—C16—C17—C13	−0.2 (5)
N3—Co1—N1—C2	90.5 (3)	C15—C16—C17—C18	−179.9 (4)
O1—Co1—N1—C1	97.0 (2)	C13—C17—C18—C19	−1.5 (6)
N2—Co1—N1—C1	1.5 (2)	C16—C17—C18—C19	178.2 (4)
N4—Co1—N1—C1	−167.9 (2)	C17—C18—C19—C20	0.1 (6)
N3—Co1—N1—C1	−90.3 (2)	C18—C19—C20—C24	1.0 (6)
O1—Co1—N2—C11	91.3 (3)	C18—C19—C20—C21	−179.4 (4)
N4—Co1—N2—C11	−139.8 (4)	C24—C20—C21—C22	−1.0 (5)
N5—Co1—N2—C11	1.4 (3)	C19—C20—C21—C22	179.4 (4)
N1—Co1—N2—C11	177.5 (3)	C20—C21—C22—C23	0.5 (6)
N3—Co1—N2—C11	−91.1 (3)	C24—N4—C23—C22	−0.9 (5)
O1—Co1—N2—C12	−87.0 (2)	Co1—N4—C23—C22	176.3 (3)
N4—Co1—N2—C12	41.9 (5)	C21—C22—C23—N4	0.5 (6)
N5—Co1—N2—C12	−176.9 (2)	C23—N4—C24—C20	0.4 (5)
N1—Co1—N2—C12	−0.7 (2)	Co1—N4—C24—C20	−177.2 (3)
N3—Co1—N2—C12	90.6 (2)	C23—N4—C24—C13	−178.9 (3)
N2—Co1—N3—C14	14.4 (3)	Co1—N4—C24—C13	3.5 (4)
N4—Co1—N3—C14	−177.6 (3)	C21—C20—C24—N4	0.5 (5)
N5—Co1—N3—C14	−88.8 (3)	C19—C20—C24—N4	−179.8 (3)
N2—Co1—N3—C13	−164.6 (2)	C21—C20—C24—C13	179.8 (3)
N4—Co1—N3—C13	3.4 (2)	C19—C20—C24—C13	−0.6 (5)
N5—Co1—N3—C13	92.2 (2)	N3—C13—C24—N4	−0.6 (5)
N1—Co1—N3—C13	−86.5 (2)	C17—C13—C24—N4	178.4 (3)
O1—Co1—N4—C23	−1.8 (3)	N3—C13—C24—C20	−179.9 (3)
N2—Co1—N4—C23	−130.7 (4)	C17—C13—C24—C20	−0.9 (5)
N5—Co1—N4—C23	86.9 (3)	Co1—N5—C25—C26	54.4 (4)
N1—Co1—N4—C23	−89.2 (3)	N5—C25—C26—S1	−66.2 (4)
N3—Co1—N4—C23	179.0 (3)	O2—S1—C26—C25	−174.0 (3)
O1—Co1—N4—C24	175.4 (2)	O3—S1—C26—C25	−52.5 (3)
N2—Co1—N4—C24	46.6 (5)	O1—S1—C26—C25	66.5 (3)
N5—Co1—N4—C24	−95.8 (2)	C28—N6—C27—C31	0.5 (5)
N1—Co1—N4—C24	88.1 (2)	Co2—N6—C27—C31	−178.2 (3)
N3—Co1—N4—C24	−3.7 (2)	C28—N6—C27—C38	−178.8 (3)
O1—Co1—N5—C25	−35.0 (3)	Co2—N6—C27—C38	2.5 (4)
N2—Co1—N5—C25	59.7 (3)	C27—N6—C28—C29	0.0 (5)
N4—Co1—N5—C25	−130.1 (3)	Co2—N6—C28—C29	178.5 (3)
N3—Co1—N5—C25	152.4 (3)	N6—C28—C29—C30	−0.5 (6)
O4—Co2—N6—C28	87.6 (3)	C28—C29—C30—C31	0.6 (6)
N8—Co2—N6—C28	−85.1 (3)	C29—C30—C31—C27	−0.1 (6)
N9—Co2—N6—C28	−6.8 (3)	C29—C30—C31—C32	179.1 (4)
N7—Co2—N6—C28	179.3 (3)	N6—C27—C31—C30	−0.5 (5)
O4—Co2—N6—C27	−93.9 (2)	C38—C27—C31—C30	178.8 (3)
N8—Co2—N6—C27	93.4 (2)	N6—C27—C31—C32	−179.7 (3)
N9—Co2—N6—C27	171.8 (2)	C38—C27—C31—C32	−0.4 (5)
N7—Co2—N6—C27	−2.1 (2)	C30—C31—C32—C33	−178.1 (4)
O4—Co2—N7—C37	−90.9 (3)	C27—C31—C32—C33	1.1 (6)
N8—Co2—N7—C37	92.7 (3)	C31—C32—C33—C34	−0.9 (6)
N9—Co2—N7—C37	149.5 (5)	C32—C33—C34—C35	−179.2 (4)
N6—Co2—N7—C37	−179.2 (3)	C32—C33—C34—C38	0.1 (6)
N10—Co2—N7—C37	0.3 (3)	C38—C34—C35—C36	0.1 (6)
O4—Co2—N7—C38	89.8 (2)	C33—C34—C35—C36	179.4 (4)
N8—Co2—N7—C38	−86.7 (2)	C34—C35—C36—C37	−0.2 (6)
N9—Co2—N7—C38	−29.9 (7)	C38—N7—C37—C36	0.2 (6)
N6—Co2—N7—C38	1.4 (2)	Co2—N7—C37—C36	−179.2 (3)
N10—Co2—N7—C38	−179.1 (2)	C35—C36—C37—N7	0.1 (6)
N9—Co2—N8—C40	179.8 (4)	C37—N7—C38—C34	−0.3 (5)
N6—Co2—N8—C40	−88.1 (4)	Co2—N7—C38—C34	179.2 (3)
N7—Co2—N8—C40	−10.3 (4)	C37—N7—C38—C27	180.0 (3)
N10—Co2—N8—C40	89.1 (4)	Co2—N7—C38—C27	−0.6 (4)
N9—Co2—N8—C39	−5.1 (2)	C35—C34—C38—N7	0.2 (5)
N6—Co2—N8—C39	86.9 (3)	C33—C34—C38—N7	−179.2 (3)
N7—Co2—N8—C39	164.8 (3)	C35—C34—C38—C27	179.9 (3)
N10—Co2—N8—C39	−95.9 (3)	C33—C34—C38—C27	0.6 (5)
O4—Co2—N9—C49	4.1 (3)	N6—C27—C38—N7	−1.3 (5)
N8—Co2—N9—C49	−178.2 (3)	C31—C27—C38—N7	179.4 (3)
N6—Co2—N9—C49	92.9 (3)	N6—C27—C38—C34	178.9 (3)
N7—Co2—N9—C49	123.5 (6)	C31—C27—C38—C34	−0.4 (5)
N10—Co2—N9—C49	−86.9 (3)	C40—N8—C39—C43	−0.4 (5)
O4—Co2—N9—C50	−173.2 (2)	Co2—N8—C39—C43	−176.0 (3)
N8—Co2—N9—C50	4.5 (2)	C40—N8—C39—C50	−179.3 (3)
N6—Co2—N9—C50	−84.4 (2)	Co2—N8—C39—C50	5.1 (4)
N7—Co2—N9—C50	−53.9 (7)	C39—N8—C40—C41	0.0 (6)
N10—Co2—N9—C50	95.8 (2)	Co2—N8—C40—C41	174.8 (3)
O4—Co2—N10—C51	−8.7 (3)	N8—C40—C41—C42	0.2 (7)
N8—Co2—N10—C51	164.1 (3)	C40—C41—C42—C43	0.0 (7)
N9—Co2—N10—C51	85.7 (3)	C41—C42—C43—C39	−0.4 (6)
N7—Co2—N10—C51	−100.3 (3)	C41—C42—C43—C44	179.1 (4)
C2—N1—C1—C5	−2.0 (5)	N8—C39—C43—C42	0.6 (5)
Co1—N1—C1—C5	178.7 (3)	C50—C39—C43—C42	179.5 (3)
C2—N1—C1—C12	177.2 (3)	N8—C39—C43—C44	−178.9 (3)
Co1—N1—C1—C12	−2.1 (4)	C50—C39—C43—C44	0.0 (5)
C1—N1—C2—C3	2.2 (5)	C42—C43—C44—C45	−179.2 (4)
Co1—N1—C2—C3	−178.6 (3)	C39—C43—C44—C45	0.2 (6)
N1—C2—C3—C4	−1.2 (6)	C43—C44—C45—C46	−0.3 (6)
C2—C3—C4—C5	−0.1 (6)	C44—C45—C46—C47	179.0 (4)
N1—C1—C5—C4	0.7 (5)	C44—C45—C46—C50	0.1 (5)
C12—C1—C5—C4	−178.4 (3)	C50—C46—C47—C48	−0.8 (6)
N1—C1—C5—C6	179.4 (3)	C45—C46—C47—C48	−179.7 (4)
C12—C1—C5—C6	0.2 (5)	C46—C47—C48—C49	0.2 (6)
C3—C4—C5—C1	0.3 (5)	C50—N9—C49—C48	0.4 (5)
C3—C4—C5—C6	−178.3 (4)	Co2—N9—C49—C48	−176.9 (3)
C1—C5—C6—C7	−0.5 (5)	C47—C48—C49—N9	0.0 (6)
C4—C5—C6—C7	178.1 (4)	C49—N9—C50—C46	−1.0 (5)
C5—C6—C7—C8	−0.5 (6)	Co2—N9—C50—C46	176.7 (3)
C6—C7—C8—C9	−177.8 (4)	C49—N9—C50—C39	179.1 (3)
C6—C7—C8—C12	1.7 (6)	Co2—N9—C50—C39	−3.3 (4)
C12—C8—C9—C10	1.1 (5)	C47—C46—C50—N9	1.2 (5)
C7—C8—C9—C10	−179.4 (4)	C45—C46—C50—N9	−179.8 (3)
C8—C9—C10—C11	0.8 (6)	C47—C46—C50—C39	−178.9 (3)
C12—N2—C11—C10	0.8 (5)	C45—C46—C50—C39	0.1 (5)
Co1—N2—C11—C10	−177.4 (3)	N8—C39—C50—N9	−1.3 (5)
C9—C10—C11—N2	−1.8 (6)	C43—C39—C50—N9	179.8 (3)
C11—N2—C12—C8	1.2 (5)	N8—C39—C50—C46	178.8 (3)
Co1—N2—C12—C8	179.6 (3)	C43—C39—C50—C46	−0.2 (5)
C11—N2—C12—C1	−178.6 (3)	Co2—N10—C51—C52	50.8 (4)
Co1—N2—C12—C1	−0.2 (4)	N10—C51—C52—S2	−79.5 (3)
C9—C8—C12—N2	−2.2 (5)	O6—S2—C52—C51	−63.1 (3)
C7—C8—C12—N2	178.3 (3)	O5—S2—C52—C51	174.7 (3)
C9—C8—C12—C1	177.6 (3)	O4—S2—C52—C51	55.6 (3)
C7—C8—C12—C1	−1.9 (5)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
N5—H52···O6	0.86	2.16	3.015 (4)	173
N10—H102···O2^i	0.86	2.31	3.043 (4)	143

Symmetry code: (i) x, y+1, z.