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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.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806041584/hb2164sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806041584/hb2164Isup2.hkl
Contains datablock I

CCDC reference: 627681

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 top

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 top
Crystal data top
[Co(C2H6NO3S)(C12H8N2)2]ClO4·H2OF(000) = 2712
Mr = 660.94Dx = 1.592 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 15548 reflections
a = 21.737 (4) Åθ = 1.9–25.0°
b = 12.494 (2) ŵ = 0.86 mm1
c = 22.115 (4) ÅT = 293 K
β = 113.346 (2)°Prism, orange
V = 5514 (2) Å30.18 × 0.12 × 0.10 mm
Z = 8
Data collection top
Rigaku Mercury area-detector
diffractometer
9720 independent reflections
Radiation source: fine-focus sealed tube8671 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.037
ω scansθmax = 25.0°, θmin = 1.9°
Absorption correction: multi-scan
(Jacobson, 1998)
h = 2525
Tmin = 0.856, Tmax = 1.000k = 1413
34443 measured reflectionsl = 2526
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.050Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.131H-atom parameters constrained
S = 1.16 w = 1/[σ2(Fo2) + (0.0568P)2 + 9.8438P]
where P = (Fo2 + 2Fc2)/3
9720 reflections(Δ/σ)max = 0.001
802 parametersΔρmax = 0.92 e Å3
42 restraintsΔρmin = 0.40 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Co10.32789 (2)0.22149 (4)0.41647 (2)0.01379 (13)
Co20.20340 (2)0.71564 (4)0.59598 (2)0.01511 (13)
Cl10.51712 (4)0.12557 (7)0.65962 (5)0.0244 (2)
Cl20.09707 (5)0.87882 (8)0.76471 (5)0.0284 (2)
S10.29098 (4)0.01556 (7)0.48129 (4)0.01663 (19)
S20.22490 (4)0.50668 (7)0.51532 (4)0.01608 (19)
O10.32732 (12)0.05935 (19)0.44253 (12)0.0191 (5)
O20.30699 (13)0.0958 (2)0.49781 (13)0.0239 (6)
O30.21924 (12)0.0364 (2)0.44940 (13)0.0246 (6)
O40.22762 (14)0.5629 (2)0.57473 (12)0.0244 (6)
O50.18782 (13)0.4068 (2)0.50589 (13)0.0245 (6)
O60.29142 (13)0.4939 (2)0.51564 (14)0.0291 (6)
O70.46906 (15)0.2116 (2)0.63704 (17)0.0439 (9)
O80.58093 (15)0.1620 (3)0.66327 (17)0.0438 (8)
O90.49460 (15)0.0371 (2)0.61462 (15)0.0362 (7)
O100.52359 (16)0.0907 (2)0.72366 (15)0.0368 (7)
O110.16071 (16)0.8380 (3)0.7714 (2)0.0513 (10)
O120.1034 (2)0.9913 (3)0.7777 (2)0.0554 (10)
O130.07615 (16)0.8276 (3)0.81207 (15)0.0414 (8)
O140.04909 (17)0.8567 (4)0.70015 (17)0.0597 (11)
O1A0.0473 (4)0.8803 (6)0.4406 (4)0.029 (2)0.33
O1B0.0371 (3)0.8133 (5)0.3900 (3)0.0233 (14)0.41
O1C0.0462 (6)0.8998 (11)0.3797 (6)0.029 (3)0.22
O1D0.0987 (4)0.9969 (7)0.4556 (5)0.025 (2)0.30
O1E0.1300 (5)1.0473 (7)0.5025 (5)0.025 (2)0.29
O1F0.0951 (6)1.1416 (10)0.4949 (6)0.028 (3)0.24
O1G0.0681 (6)1.0929 (11)0.4621 (7)0.024 (3)0.21
N10.32226 (14)0.1663 (2)0.32191 (14)0.0146 (6)
N20.22293 (14)0.2285 (2)0.35841 (14)0.0161 (6)
N30.34223 (14)0.3854 (2)0.39326 (14)0.0166 (6)
N40.43432 (14)0.2328 (2)0.45089 (14)0.0168 (6)
N50.33503 (15)0.2654 (2)0.51325 (14)0.0169 (6)
H510.37700.26700.53820.020*
H520.32090.33030.51030.020*
N60.21120 (15)0.6573 (2)0.68991 (15)0.0177 (6)
N70.10205 (15)0.6676 (2)0.57533 (15)0.0192 (7)
N80.19226 (15)0.8741 (2)0.62618 (15)0.0192 (7)
N90.30467 (15)0.7703 (2)0.63624 (15)0.0171 (6)
N100.19046 (15)0.7710 (2)0.49941 (15)0.0185 (6)
H1010.14880.78660.47880.022*
H1020.21240.82990.50470.022*
C10.25868 (17)0.1662 (3)0.27487 (17)0.0155 (7)
C20.37114 (18)0.1329 (3)0.30532 (19)0.0207 (8)
H20.41450.13040.33760.025*
C30.36063 (19)0.1012 (3)0.24146 (19)0.0240 (8)
H30.39650.07950.23150.029*
C40.29702 (19)0.1025 (3)0.19365 (19)0.0227 (8)
H40.28920.08170.15080.027*
C50.24370 (18)0.1354 (3)0.20986 (18)0.0187 (8)
C60.17483 (19)0.1364 (3)0.16292 (18)0.0218 (8)
H60.16460.11650.11950.026*
C70.12508 (18)0.1660 (3)0.18154 (18)0.0219 (8)
H70.08110.16670.15050.026*
C80.13890 (17)0.1964 (3)0.24824 (18)0.0174 (7)
C90.08861 (18)0.2242 (3)0.27034 (19)0.0216 (8)
H90.04380.22300.24150.026*
C100.10630 (18)0.2531 (3)0.33459 (19)0.0217 (8)
H100.07340.27090.34980.026*
C110.17396 (18)0.2560 (3)0.37746 (18)0.0180 (8)
H110.18520.27780.42070.022*
C120.20562 (17)0.1982 (3)0.29475 (17)0.0144 (7)
C130.40749 (18)0.4107 (3)0.40774 (17)0.0171 (7)
C140.29616 (19)0.4618 (3)0.36648 (18)0.0213 (8)
H140.25140.44550.35600.026*
C150.3126 (2)0.5658 (3)0.35349 (19)0.0253 (9)
H150.27940.61730.33570.030*
C160.3786 (2)0.5902 (3)0.36745 (19)0.0261 (9)
H160.39020.65820.35850.031*
C170.42835 (19)0.5118 (3)0.39529 (18)0.0212 (8)
C180.4979 (2)0.5304 (3)0.4114 (2)0.0271 (9)
H180.51170.59670.40230.033*
C190.5441 (2)0.4530 (3)0.4398 (2)0.0267 (9)
H190.58900.46720.44980.032*
C200.52478 (18)0.3495 (3)0.45465 (18)0.0213 (8)
C210.57056 (19)0.2661 (3)0.48466 (19)0.0259 (9)
H210.61610.27630.49570.031*
C220.54769 (19)0.1702 (3)0.49752 (19)0.0255 (9)
H220.57740.11480.51760.031*
C230.47920 (18)0.1571 (3)0.48003 (18)0.0204 (8)
H230.46410.09190.48920.025*
C240.45658 (17)0.3291 (3)0.43820 (17)0.0169 (7)
C250.30194 (19)0.2050 (3)0.54983 (18)0.0208 (8)
H25A0.25370.21210.52710.025*
H25B0.31490.23570.59340.025*
C260.32041 (19)0.0872 (3)0.55628 (17)0.0194 (8)
H26A0.30260.05390.58560.023*
H26B0.36880.08100.57670.023*
C270.15161 (18)0.6247 (3)0.69033 (18)0.0173 (7)
C280.26521 (19)0.6516 (3)0.74594 (18)0.0203 (8)
H280.30610.67380.74600.024*
C290.2635 (2)0.6138 (3)0.8049 (2)0.0267 (9)
H290.30250.61060.84300.032*
C300.2035 (2)0.5817 (3)0.8057 (2)0.0263 (9)
H300.20140.55710.84460.032*
C310.1453 (2)0.5864 (3)0.7475 (2)0.0232 (8)
C320.0805 (2)0.5531 (3)0.7434 (2)0.0297 (10)
H320.07590.52890.78120.036*
C330.0264 (2)0.5562 (3)0.6860 (2)0.0305 (10)
H330.01470.53310.68480.037*
C340.03074 (19)0.5941 (3)0.6270 (2)0.0242 (9)
C350.02409 (19)0.6002 (3)0.5663 (2)0.0290 (9)
H350.06630.57830.56270.035*
C360.0153 (2)0.6385 (4)0.5125 (2)0.0328 (10)
H360.05140.64260.47200.039*
C370.04859 (18)0.6718 (3)0.51856 (19)0.0246 (9)
H370.05380.69780.48150.029*
C380.09382 (18)0.6291 (3)0.62919 (19)0.0186 (8)
C390.25145 (19)0.9243 (3)0.65895 (18)0.0189 (8)
C400.1366 (2)0.9236 (3)0.6207 (2)0.0299 (9)
H400.09580.88940.59820.036*
C410.1363 (2)1.0254 (3)0.6472 (2)0.0350 (10)
H410.09611.05780.64250.042*
C420.1959 (2)1.0761 (3)0.6801 (2)0.0296 (9)
H420.19651.14360.69800.036*
C430.2560 (2)1.0268 (3)0.68687 (18)0.0215 (8)
C440.3201 (2)1.0747 (3)0.71951 (19)0.0255 (9)
H440.32301.14230.73810.031*
C450.3769 (2)1.0244 (3)0.72424 (18)0.0246 (9)
H450.41811.05800.74570.030*
C460.37444 (19)0.9191 (3)0.69631 (18)0.0218 (8)
C470.43126 (19)0.8631 (3)0.69856 (19)0.0261 (9)
H470.47360.89330.71910.031*
C480.42411 (19)0.7637 (3)0.67046 (19)0.0254 (9)
H480.46150.72580.67180.030*
C490.35977 (18)0.7198 (3)0.63964 (19)0.0211 (8)
H490.35540.65220.62070.025*
C500.31185 (18)0.8696 (3)0.66391 (17)0.0166 (7)
C510.20970 (19)0.7027 (3)0.45454 (18)0.0206 (8)
H51A0.25810.69720.47160.025*
H51B0.19440.73620.41150.025*
C520.17966 (19)0.5911 (3)0.44770 (18)0.0205 (8)
H52A0.17880.55870.40750.025*
H52B0.13380.59700.44380.025*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Co10.0132 (2)0.0139 (3)0.0133 (2)0.00051 (18)0.00413 (19)0.00013 (18)
Co20.0160 (3)0.0133 (3)0.0165 (3)0.00167 (19)0.0070 (2)0.00190 (19)
Cl10.0194 (4)0.0211 (5)0.0268 (5)0.0027 (4)0.0027 (4)0.0027 (4)
Cl20.0203 (5)0.0300 (5)0.0334 (5)0.0006 (4)0.0093 (4)0.0060 (4)
S10.0176 (4)0.0146 (4)0.0186 (4)0.0016 (3)0.0080 (4)0.0011 (3)
S20.0167 (4)0.0140 (4)0.0163 (4)0.0008 (3)0.0051 (3)0.0019 (3)
O10.0259 (14)0.0138 (13)0.0212 (13)0.0017 (10)0.0131 (11)0.0018 (10)
O20.0287 (14)0.0143 (13)0.0325 (16)0.0021 (11)0.0163 (12)0.0018 (11)
O30.0160 (13)0.0306 (15)0.0258 (14)0.0009 (11)0.0069 (11)0.0024 (12)
O40.0393 (16)0.0164 (13)0.0161 (13)0.0052 (12)0.0094 (12)0.0005 (11)
O50.0281 (14)0.0164 (14)0.0250 (15)0.0031 (11)0.0063 (12)0.0012 (11)
O60.0201 (14)0.0268 (15)0.0405 (17)0.0044 (12)0.0120 (12)0.0032 (13)
O70.0291 (17)0.0276 (17)0.057 (2)0.0076 (13)0.0023 (15)0.0016 (15)
O80.0265 (16)0.048 (2)0.054 (2)0.0120 (15)0.0138 (15)0.0115 (17)
O90.0437 (18)0.0268 (16)0.0312 (17)0.0026 (14)0.0076 (14)0.0064 (13)
O100.0491 (19)0.0337 (17)0.0279 (16)0.0077 (14)0.0157 (14)0.0028 (13)
O110.0285 (17)0.043 (2)0.082 (3)0.0078 (15)0.0221 (18)0.0118 (19)
O120.083 (3)0.0240 (17)0.089 (3)0.0069 (17)0.066 (2)0.0020 (18)
O130.0380 (18)0.049 (2)0.0319 (17)0.0138 (15)0.0082 (14)0.0019 (15)
O140.0376 (19)0.101 (3)0.0323 (19)0.025 (2)0.0049 (15)0.005 (2)
O1A0.024 (4)0.025 (4)0.045 (5)0.010 (3)0.023 (4)0.026 (4)
O1B0.026 (3)0.025 (4)0.018 (3)0.007 (3)0.008 (3)0.005 (3)
O1C0.027 (6)0.036 (7)0.020 (6)0.012 (5)0.007 (5)0.002 (5)
O1D0.013 (4)0.017 (4)0.047 (5)0.001 (3)0.014 (4)0.000 (4)
O1E0.030 (5)0.022 (4)0.035 (5)0.011 (4)0.026 (4)0.007 (4)
O1F0.031 (6)0.032 (6)0.033 (6)0.015 (5)0.027 (5)0.007 (5)
O1G0.013 (5)0.031 (6)0.026 (6)0.001 (5)0.005 (5)0.004 (5)
N10.0151 (14)0.0133 (15)0.0159 (15)0.0002 (12)0.0068 (12)0.0021 (12)
N20.0167 (15)0.0159 (16)0.0151 (15)0.0005 (12)0.0056 (12)0.0005 (12)
N30.0168 (15)0.0174 (16)0.0142 (15)0.0005 (12)0.0047 (12)0.0008 (12)
N40.0164 (15)0.0194 (16)0.0128 (15)0.0001 (12)0.0040 (12)0.0012 (12)
N50.0190 (15)0.0127 (15)0.0172 (15)0.0004 (12)0.0054 (12)0.0006 (12)
N60.0205 (16)0.0146 (15)0.0172 (16)0.0010 (12)0.0068 (13)0.0029 (12)
N70.0196 (16)0.0158 (16)0.0209 (16)0.0021 (13)0.0067 (13)0.0024 (13)
N80.0183 (16)0.0176 (16)0.0248 (17)0.0010 (13)0.0117 (13)0.0035 (13)
N90.0199 (16)0.0157 (16)0.0177 (16)0.0008 (12)0.0095 (13)0.0005 (12)
N100.0181 (15)0.0137 (15)0.0234 (17)0.0008 (12)0.0080 (13)0.0009 (13)
C10.0180 (18)0.0102 (17)0.0178 (18)0.0018 (14)0.0066 (14)0.0028 (14)
C20.0177 (18)0.020 (2)0.023 (2)0.0005 (15)0.0074 (15)0.0006 (16)
C30.0216 (19)0.027 (2)0.027 (2)0.0004 (16)0.0138 (17)0.0059 (17)
C40.029 (2)0.023 (2)0.0174 (19)0.0055 (16)0.0107 (16)0.0044 (15)
C50.0231 (19)0.0159 (18)0.0170 (18)0.0034 (15)0.0077 (15)0.0012 (15)
C60.024 (2)0.026 (2)0.0132 (18)0.0056 (16)0.0041 (15)0.0006 (15)
C70.0179 (18)0.023 (2)0.0195 (19)0.0033 (16)0.0017 (15)0.0014 (16)
C80.0168 (18)0.0164 (18)0.0172 (18)0.0004 (14)0.0047 (15)0.0021 (14)
C90.0143 (18)0.021 (2)0.025 (2)0.0010 (15)0.0033 (15)0.0027 (16)
C100.0170 (18)0.024 (2)0.025 (2)0.0039 (16)0.0095 (16)0.0030 (16)
C110.0195 (18)0.0186 (19)0.0161 (18)0.0008 (15)0.0072 (15)0.0006 (15)
C120.0181 (18)0.0093 (16)0.0146 (17)0.0008 (13)0.0052 (14)0.0030 (13)
C130.0243 (19)0.0149 (18)0.0131 (17)0.0034 (15)0.0084 (15)0.0034 (14)
C140.0232 (19)0.0200 (19)0.021 (2)0.0045 (16)0.0092 (16)0.0024 (15)
C150.033 (2)0.0166 (19)0.025 (2)0.0052 (17)0.0105 (18)0.0010 (16)
C160.043 (2)0.0148 (19)0.022 (2)0.0026 (17)0.0144 (18)0.0003 (16)
C170.028 (2)0.0187 (19)0.0180 (19)0.0055 (16)0.0099 (16)0.0046 (15)
C180.034 (2)0.024 (2)0.027 (2)0.0124 (18)0.0165 (18)0.0049 (17)
C190.023 (2)0.032 (2)0.028 (2)0.0096 (18)0.0118 (17)0.0086 (18)
C200.0196 (19)0.026 (2)0.0196 (19)0.0063 (16)0.0093 (15)0.0059 (16)
C210.0159 (19)0.038 (2)0.024 (2)0.0035 (17)0.0078 (16)0.0081 (18)
C220.0185 (19)0.031 (2)0.024 (2)0.0039 (17)0.0056 (16)0.0009 (17)
C230.0235 (19)0.0181 (19)0.0187 (19)0.0027 (16)0.0073 (15)0.0007 (15)
C240.0175 (18)0.0181 (19)0.0165 (18)0.0044 (15)0.0082 (14)0.0069 (15)
C250.027 (2)0.0198 (19)0.0177 (19)0.0007 (16)0.0110 (16)0.0020 (15)
C260.0235 (19)0.0198 (19)0.0147 (18)0.0001 (15)0.0073 (15)0.0012 (15)
C270.0230 (19)0.0112 (17)0.0207 (19)0.0007 (14)0.0120 (15)0.0018 (14)
C280.0212 (19)0.0185 (19)0.0204 (19)0.0022 (15)0.0074 (15)0.0013 (15)
C290.033 (2)0.023 (2)0.021 (2)0.0072 (17)0.0069 (17)0.0024 (16)
C300.037 (2)0.023 (2)0.022 (2)0.0077 (18)0.0155 (18)0.0047 (16)
C310.032 (2)0.0144 (19)0.029 (2)0.0028 (16)0.0184 (18)0.0030 (16)
C320.038 (2)0.021 (2)0.042 (3)0.0056 (18)0.029 (2)0.0119 (18)
C330.027 (2)0.022 (2)0.053 (3)0.0011 (17)0.027 (2)0.005 (2)
C340.023 (2)0.0138 (19)0.040 (2)0.0001 (15)0.0177 (18)0.0013 (17)
C350.0149 (19)0.028 (2)0.045 (3)0.0069 (16)0.0121 (18)0.0086 (19)
C360.021 (2)0.038 (3)0.031 (2)0.0033 (18)0.0019 (17)0.009 (2)
C370.0207 (19)0.030 (2)0.021 (2)0.0054 (17)0.0055 (16)0.0056 (17)
C380.0196 (18)0.0116 (18)0.028 (2)0.0013 (14)0.0129 (16)0.0020 (15)
C390.026 (2)0.0157 (18)0.0188 (19)0.0012 (15)0.0131 (16)0.0003 (15)
C400.025 (2)0.028 (2)0.039 (2)0.0006 (18)0.0164 (19)0.0078 (19)
C410.036 (2)0.026 (2)0.052 (3)0.0065 (19)0.026 (2)0.005 (2)
C420.045 (3)0.017 (2)0.037 (2)0.0003 (18)0.026 (2)0.0041 (18)
C430.032 (2)0.0184 (19)0.0181 (19)0.0043 (16)0.0146 (16)0.0007 (15)
C440.041 (2)0.0172 (19)0.021 (2)0.0092 (18)0.0144 (18)0.0062 (16)
C450.030 (2)0.026 (2)0.0162 (19)0.0131 (17)0.0062 (16)0.0010 (16)
C460.025 (2)0.022 (2)0.0167 (19)0.0054 (16)0.0066 (16)0.0026 (15)
C470.0177 (19)0.031 (2)0.025 (2)0.0055 (17)0.0036 (16)0.0031 (17)
C480.0182 (19)0.030 (2)0.026 (2)0.0029 (16)0.0072 (16)0.0070 (17)
C490.0220 (19)0.0190 (19)0.024 (2)0.0017 (15)0.0108 (16)0.0017 (16)
C500.0213 (18)0.0160 (18)0.0131 (17)0.0019 (15)0.0074 (14)0.0006 (14)
C510.0245 (19)0.0195 (19)0.0199 (19)0.0015 (15)0.0112 (16)0.0015 (15)
C520.0231 (19)0.0197 (19)0.0152 (18)0.0008 (15)0.0038 (15)0.0007 (15)
Geometric parameters (Å, º) top
Co1—O12.108 (2)C13—C171.406 (5)
Co1—N12.159 (3)C13—C241.436 (5)
Co1—N22.131 (3)C14—C151.406 (5)
Co1—N32.163 (3)C14—H140.9300
Co1—N42.134 (3)C15—C161.375 (6)
Co1—N52.155 (3)C15—H150.9300
Co2—O42.082 (3)C16—C171.407 (6)
Co2—N62.144 (3)C16—H160.9300
Co2—N72.150 (3)C17—C181.428 (5)
Co2—N82.133 (3)C18—C191.355 (6)
Co2—N92.134 (3)C18—H180.9300
Co2—N102.154 (3)C19—C201.438 (6)
Cl1—O81.431 (3)C19—H190.9300
Cl1—O101.434 (3)C20—C241.403 (5)
Cl1—O91.438 (3)C20—C211.411 (6)
Cl1—O71.443 (3)C21—C221.371 (6)
Cl2—O141.422 (4)C21—H210.9300
Cl2—O111.426 (3)C22—C231.392 (5)
Cl2—O121.430 (3)C22—H220.9300
Cl2—O131.446 (3)C23—H230.9300
S1—O21.446 (3)C25—C261.518 (5)
S1—O31.458 (3)C25—H25A0.9700
S1—O11.481 (3)C25—H25B0.9700
S1—C261.766 (4)C26—H26A0.9700
S2—O61.452 (3)C26—H26B0.9700
S2—O51.455 (3)C27—C311.410 (5)
S2—O41.470 (3)C27—C381.436 (5)
S2—C521.775 (4)C28—C291.402 (5)
N1—C21.322 (5)C28—H280.9300
N1—C11.361 (4)C29—C301.371 (6)
N2—C111.335 (5)C29—H290.9300
N2—C121.359 (5)C30—C311.405 (6)
N3—C141.340 (5)C30—H300.9300
N3—C131.362 (5)C31—C321.435 (6)
N4—C231.328 (5)C32—C331.346 (6)
N4—C241.367 (5)C32—H320.9300
N5—C251.484 (5)C33—C341.427 (6)
N5—H510.8600C33—H330.9300
N5—H520.8600C34—C351.400 (6)
N6—C281.329 (5)C34—C381.421 (5)
N6—C271.362 (5)C35—C361.365 (6)
N7—C371.331 (5)C35—H350.9300
N7—C381.360 (5)C36—C371.403 (6)
N8—C401.321 (5)C36—H360.9300
N8—C391.355 (5)C37—H370.9300
N9—C491.330 (5)C39—C431.408 (5)
N9—C501.364 (5)C39—C501.445 (5)
N10—C511.488 (5)C40—C411.402 (6)
N10—H1010.8600C40—H400.9300
N10—H1020.8600C41—C421.364 (6)
C1—C51.396 (5)C41—H410.9300
C1—C121.444 (5)C42—C431.397 (6)
C2—C31.396 (5)C42—H420.9300
C2—H20.9300C43—C441.423 (6)
C3—C41.368 (5)C44—C451.353 (6)
C3—H30.9300C44—H440.9300
C4—C51.404 (5)C45—C461.445 (6)
C4—H40.9300C45—H450.9300
C5—C61.445 (5)C46—C471.403 (6)
C6—C71.352 (5)C46—C501.405 (5)
C6—H60.9300C47—C481.370 (6)
C7—C81.435 (5)C47—H470.9300
C7—H70.9300C48—C491.402 (5)
C8—C91.406 (5)C48—H480.9300
C8—C121.407 (5)C49—H490.9300
C9—C101.365 (5)C51—C521.521 (5)
C9—H90.9300C51—H51A0.9700
C10—C111.399 (5)C51—H51B0.9700
C10—H100.9300C52—H52A0.9700
C11—H110.9300C52—H52B0.9700
O1—Co1—N187.3 (1)C17—C13—C24119.5 (3)
O1—Co1—N294.8 (1)N3—C14—C15122.8 (4)
O1—Co1—N3172.6 (1)N3—C14—H14118.6
O1—Co1—N495.1 (1)C15—C14—H14118.6
O1—Co1—N588.8 (1)C16—C15—C14119.1 (4)
N1—Co1—N278.1 (1)C16—C15—H15120.5
N1—Co1—N391.8 (1)C14—C15—H15120.5
N1—Co1—N490.2 (1)C15—C16—C17119.7 (4)
N1—Co1—N5176.1 (1)C15—C16—H16120.1
N2—Co1—N392.2 (1)C17—C16—H16120.1
N2—Co1—N4164.3 (1)C13—C17—C16117.3 (3)
N2—Co1—N5103.1 (1)C13—C17—C18119.3 (4)
N3—Co1—N592.0 (1)C16—C17—C18123.4 (4)
N3—Co1—N477.6 (1)C19—C18—C17121.0 (4)
N4—Co1—N589.3 (1)C19—C18—H18119.5
O4—Co2—N688.7 (1)C17—C18—H18119.5
O4—Co2—N791.5 (1)C18—C19—C20121.3 (4)
O4—Co2—N8172.4 (1)C18—C19—H19119.4
O4—Co2—N994.4 (1)C20—C19—H19119.4
O4—Co2—N1090.9 (1)C24—C20—C21117.6 (3)
N6—Co2—N778.0 (1)C24—C20—C19118.6 (4)
N6—Co2—N889.3 (1)C21—C20—C19123.8 (3)
N6—Co2—N991.9 (1)C22—C21—C20119.8 (3)
N6—Co2—N10177.1 (1)C22—C21—H21120.1
N7—Co2—N895.3 (1)C20—C21—H21120.1
N7—Co2—N9168.2 (1)C21—C22—C23118.8 (4)
N7—Co2—N1099.1 (1)C21—C22—H22120.6
N8—Co2—N978.4 (1)C23—C22—H22120.6
N8—Co2—N1091.5 (1)N4—C23—C22123.4 (4)
N9—Co2—N1091.1 (1)N4—C23—H23118.3
O8—Cl1—O10109.10 (19)C22—C23—H23118.3
O8—Cl1—O9109.9 (2)N4—C24—C20122.0 (3)
O10—Cl1—O9108.87 (19)N4—C24—C13117.6 (3)
O8—Cl1—O7109.6 (2)C20—C24—C13120.4 (3)
O10—Cl1—O7110.0 (2)N5—C25—C26112.2 (3)
O9—Cl1—O7109.39 (19)N5—C25—H25A109.2
O14—Cl2—O11109.2 (2)C26—C25—H25A109.2
O14—Cl2—O12111.5 (3)N5—C25—H25B109.2
O11—Cl2—O12108.5 (2)C26—C25—H25B109.2
O14—Cl2—O13109.0 (2)H25A—C25—H25B107.9
O11—Cl2—O13109.7 (2)C25—C26—S1114.8 (3)
O12—Cl2—O13108.8 (2)C25—C26—H26A108.6
O2—S1—O3113.50 (16)S1—C26—H26A108.6
O2—S1—O1111.82 (15)C25—C26—H26B108.6
O3—S1—O1111.55 (16)S1—C26—H26B108.6
O2—S1—C26106.80 (17)H26A—C26—H26B107.5
O3—S1—C26106.46 (17)N6—C27—C31122.7 (3)
O1—S1—C26106.17 (16)N6—C27—C38117.5 (3)
O6—S2—O5113.60 (16)C31—C27—C38119.9 (3)
O6—S2—O4111.15 (17)N6—C28—C29123.1 (4)
O5—S2—O4111.20 (16)N6—C28—H28118.4
O6—S2—C52106.71 (17)C29—C28—H28118.4
O5—S2—C52107.39 (16)C30—C29—C28119.1 (4)
O4—S2—C52106.35 (16)C30—C29—H29120.4
S1—O1—Co1125.14 (15)C28—C29—H29120.4
S2—O4—Co2135.66 (16)C29—C30—C31119.5 (4)
C2—N1—C1118.2 (3)C29—C30—H30120.2
C2—N1—Co1128.8 (2)C31—C30—H30120.2
C1—N1—Co1113.0 (2)C30—C31—C27117.6 (4)
C11—N2—C12118.1 (3)C30—C31—C32123.5 (4)
C11—N2—Co1128.1 (2)C27—C31—C32118.9 (4)
C12—N2—Co1113.8 (2)C33—C32—C31121.3 (4)
C14—N3—C13117.7 (3)C33—C32—H32119.4
C14—N3—Co1128.8 (2)C31—C32—H32119.4
C13—N3—Co1113.5 (2)C32—C33—C34121.6 (4)
C23—N4—C24118.4 (3)C32—C33—H33119.2
C23—N4—Co1127.6 (3)C34—C33—H33119.2
C24—N4—Co1114.0 (2)C35—C34—C38117.4 (4)
C25—N5—Co1123.5 (2)C35—C34—C33123.8 (4)
C25—N5—H51106.5C38—C34—C33118.8 (4)
Co1—N5—H51106.5C36—C35—C34119.6 (4)
C25—N5—H52106.5C36—C35—H35120.2
Co1—N5—H52106.5C34—C35—H35120.2
H51—N5—H52106.5C35—C36—C37119.7 (4)
C28—N6—C27118.0 (3)C35—C36—H36120.1
C28—N6—Co2128.6 (3)C37—C36—H36120.1
C27—N6—Co2113.5 (2)N7—C37—C36122.6 (4)
C37—N7—C38118.1 (3)N7—C37—H37118.7
C37—N7—Co2128.8 (3)C36—C37—H37118.7
C38—N7—Co2113.1 (2)N7—C38—C34122.6 (3)
C40—N8—C39118.3 (3)N7—C38—C27117.9 (3)
C40—N8—Co2128.2 (3)C34—C38—C27119.5 (3)
C39—N8—Co2113.3 (2)N8—C39—C43122.8 (3)
C49—N9—C50117.8 (3)N8—C39—C50117.6 (3)
C49—N9—Co2128.9 (3)C43—C39—C50119.6 (3)
C50—N9—Co2113.2 (2)N8—C40—C41122.8 (4)
C51—N10—Co2121.1 (2)N8—C40—H40118.6
C51—N10—H101107.1C41—C40—H40118.6
Co2—N10—H101107.1C42—C41—C40118.9 (4)
C51—N10—H102107.1C42—C41—H41120.6
Co2—N10—H102107.1C40—C41—H41120.6
H101—N10—H102106.8C41—C42—C43120.2 (4)
N1—C1—C5122.6 (3)C41—C42—H42119.9
N1—C1—C12117.3 (3)C43—C42—H42119.9
C5—C1—C12120.1 (3)C42—C43—C39117.0 (4)
N1—C2—C3122.9 (3)C42—C43—C44123.8 (4)
N1—C2—H2118.5C39—C43—C44119.3 (4)
C3—C2—H2118.5C45—C44—C43121.7 (4)
C4—C3—C2119.3 (3)C45—C44—H44119.2
C4—C3—H3120.4C43—C44—H44119.2
C2—C3—H3120.4C44—C45—C46120.7 (4)
C3—C4—C5119.3 (4)C44—C45—H45119.6
C3—C4—H4120.3C46—C45—H45119.6
C5—C4—H4120.3C47—C46—C50117.3 (4)
C1—C5—C4117.7 (3)C47—C46—C45123.7 (4)
C1—C5—C6119.3 (3)C50—C46—C45118.9 (3)
C4—C5—C6123.0 (3)C48—C47—C46119.8 (4)
C7—C6—C5120.6 (3)C48—C47—H47120.1
C7—C6—H6119.7C46—C47—H47120.1
C5—C6—H6119.7C47—C48—C49119.1 (4)
C6—C7—C8121.2 (3)C47—C48—H48120.4
C6—C7—H7119.4C49—C48—H48120.4
C8—C7—H7119.4N9—C49—C48123.0 (4)
C9—C8—C12117.4 (3)N9—C49—H49118.5
C9—C8—C7123.2 (3)C48—C49—H49118.5
C12—C8—C7119.4 (3)N9—C50—C46123.0 (3)
C10—C9—C8119.3 (3)N9—C50—C39117.2 (3)
C10—C9—H9120.3C46—C50—C39119.8 (3)
C8—C9—H9120.3N10—C51—C52111.6 (3)
C9—C10—C11119.9 (3)N10—C51—H51A109.3
C9—C10—H10120.0C52—C51—H51A109.3
C11—C10—H10120.0N10—C51—H51B109.3
N2—C11—C10122.3 (3)C52—C51—H51B109.3
N2—C11—H11118.8H51A—C51—H51B108.0
C10—C11—H11118.8C51—C52—S2112.8 (3)
N2—C12—C8122.9 (3)C51—C52—H52A109.0
N2—C12—C1117.8 (3)S2—C52—H52A109.0
C8—C12—C1119.3 (3)C51—C52—H52B109.0
N3—C13—C17123.3 (3)S2—C52—H52B109.0
N3—C13—C24117.2 (3)H52A—C52—H52B107.8
O2—S1—O1—Co1172.95 (16)N1—C1—C12—N21.6 (5)
O3—S1—O1—Co158.7 (2)C5—C1—C12—N2179.3 (3)
C26—S1—O1—Co156.8 (2)N1—C1—C12—C8178.2 (3)
N2—Co1—O1—S162.73 (19)C5—C1—C12—C80.9 (5)
N4—Co1—O1—S1129.48 (19)C14—N3—C13—C170.8 (5)
N5—Co1—O1—S140.30 (19)Co1—N3—C13—C17178.4 (3)
N1—Co1—O1—S1140.53 (19)C14—N3—C13—C24178.2 (3)
O6—S2—O4—Co2106.2 (2)Co1—N3—C13—C242.6 (4)
O5—S2—O4—Co2126.2 (2)C13—N3—C14—C150.5 (5)
C52—S2—O4—Co29.6 (3)Co1—N3—C14—C15179.5 (3)
N9—Co2—O4—S2101.7 (3)N3—C14—C15—C161.4 (6)
N6—Co2—O4—S2166.6 (3)C14—C15—C16—C171.0 (6)
N7—Co2—O4—S288.6 (3)N3—C13—C17—C161.1 (5)
N10—Co2—O4—S210.5 (3)C24—C13—C17—C16177.9 (3)
O1—Co1—N1—C282.2 (3)N3—C13—C17—C18179.2 (3)
N2—Co1—N1—C2177.7 (3)C24—C13—C17—C181.9 (5)
N4—Co1—N1—C212.9 (3)C15—C16—C17—C130.2 (5)
N3—Co1—N1—C290.5 (3)C15—C16—C17—C18179.9 (4)
O1—Co1—N1—C197.0 (2)C13—C17—C18—C191.5 (6)
N2—Co1—N1—C11.5 (2)C16—C17—C18—C19178.2 (4)
N4—Co1—N1—C1167.9 (2)C17—C18—C19—C200.1 (6)
N3—Co1—N1—C190.3 (2)C18—C19—C20—C241.0 (6)
O1—Co1—N2—C1191.3 (3)C18—C19—C20—C21179.4 (4)
N4—Co1—N2—C11139.8 (4)C24—C20—C21—C221.0 (5)
N5—Co1—N2—C111.4 (3)C19—C20—C21—C22179.4 (4)
N1—Co1—N2—C11177.5 (3)C20—C21—C22—C230.5 (6)
N3—Co1—N2—C1191.1 (3)C24—N4—C23—C220.9 (5)
O1—Co1—N2—C1287.0 (2)Co1—N4—C23—C22176.3 (3)
N4—Co1—N2—C1241.9 (5)C21—C22—C23—N40.5 (6)
N5—Co1—N2—C12176.9 (2)C23—N4—C24—C200.4 (5)
N1—Co1—N2—C120.7 (2)Co1—N4—C24—C20177.2 (3)
N3—Co1—N2—C1290.6 (2)C23—N4—C24—C13178.9 (3)
N2—Co1—N3—C1414.4 (3)Co1—N4—C24—C133.5 (4)
N4—Co1—N3—C14177.6 (3)C21—C20—C24—N40.5 (5)
N5—Co1—N3—C1488.8 (3)C19—C20—C24—N4179.8 (3)
N2—Co1—N3—C13164.6 (2)C21—C20—C24—C13179.8 (3)
N4—Co1—N3—C133.4 (2)C19—C20—C24—C130.6 (5)
N5—Co1—N3—C1392.2 (2)N3—C13—C24—N40.6 (5)
N1—Co1—N3—C1386.5 (2)C17—C13—C24—N4178.4 (3)
O1—Co1—N4—C231.8 (3)N3—C13—C24—C20179.9 (3)
N2—Co1—N4—C23130.7 (4)C17—C13—C24—C200.9 (5)
N5—Co1—N4—C2386.9 (3)Co1—N5—C25—C2654.4 (4)
N1—Co1—N4—C2389.2 (3)N5—C25—C26—S166.2 (4)
N3—Co1—N4—C23179.0 (3)O2—S1—C26—C25174.0 (3)
O1—Co1—N4—C24175.4 (2)O3—S1—C26—C2552.5 (3)
N2—Co1—N4—C2446.6 (5)O1—S1—C26—C2566.5 (3)
N5—Co1—N4—C2495.8 (2)C28—N6—C27—C310.5 (5)
N1—Co1—N4—C2488.1 (2)Co2—N6—C27—C31178.2 (3)
N3—Co1—N4—C243.7 (2)C28—N6—C27—C38178.8 (3)
O1—Co1—N5—C2535.0 (3)Co2—N6—C27—C382.5 (4)
N2—Co1—N5—C2559.7 (3)C27—N6—C28—C290.0 (5)
N4—Co1—N5—C25130.1 (3)Co2—N6—C28—C29178.5 (3)
N3—Co1—N5—C25152.4 (3)N6—C28—C29—C300.5 (6)
O4—Co2—N6—C2887.6 (3)C28—C29—C30—C310.6 (6)
N8—Co2—N6—C2885.1 (3)C29—C30—C31—C270.1 (6)
N9—Co2—N6—C286.8 (3)C29—C30—C31—C32179.1 (4)
N7—Co2—N6—C28179.3 (3)N6—C27—C31—C300.5 (5)
O4—Co2—N6—C2793.9 (2)C38—C27—C31—C30178.8 (3)
N8—Co2—N6—C2793.4 (2)N6—C27—C31—C32179.7 (3)
N9—Co2—N6—C27171.8 (2)C38—C27—C31—C320.4 (5)
N7—Co2—N6—C272.1 (2)C30—C31—C32—C33178.1 (4)
O4—Co2—N7—C3790.9 (3)C27—C31—C32—C331.1 (6)
N8—Co2—N7—C3792.7 (3)C31—C32—C33—C340.9 (6)
N9—Co2—N7—C37149.5 (5)C32—C33—C34—C35179.2 (4)
N6—Co2—N7—C37179.2 (3)C32—C33—C34—C380.1 (6)
N10—Co2—N7—C370.3 (3)C38—C34—C35—C360.1 (6)
O4—Co2—N7—C3889.8 (2)C33—C34—C35—C36179.4 (4)
N8—Co2—N7—C3886.7 (2)C34—C35—C36—C370.2 (6)
N9—Co2—N7—C3829.9 (7)C38—N7—C37—C360.2 (6)
N6—Co2—N7—C381.4 (2)Co2—N7—C37—C36179.2 (3)
N10—Co2—N7—C38179.1 (2)C35—C36—C37—N70.1 (6)
N9—Co2—N8—C40179.8 (4)C37—N7—C38—C340.3 (5)
N6—Co2—N8—C4088.1 (4)Co2—N7—C38—C34179.2 (3)
N7—Co2—N8—C4010.3 (4)C37—N7—C38—C27180.0 (3)
N10—Co2—N8—C4089.1 (4)Co2—N7—C38—C270.6 (4)
N9—Co2—N8—C395.1 (2)C35—C34—C38—N70.2 (5)
N6—Co2—N8—C3986.9 (3)C33—C34—C38—N7179.2 (3)
N7—Co2—N8—C39164.8 (3)C35—C34—C38—C27179.9 (3)
N10—Co2—N8—C3995.9 (3)C33—C34—C38—C270.6 (5)
O4—Co2—N9—C494.1 (3)N6—C27—C38—N71.3 (5)
N8—Co2—N9—C49178.2 (3)C31—C27—C38—N7179.4 (3)
N6—Co2—N9—C4992.9 (3)N6—C27—C38—C34178.9 (3)
N7—Co2—N9—C49123.5 (6)C31—C27—C38—C340.4 (5)
N10—Co2—N9—C4986.9 (3)C40—N8—C39—C430.4 (5)
O4—Co2—N9—C50173.2 (2)Co2—N8—C39—C43176.0 (3)
N8—Co2—N9—C504.5 (2)C40—N8—C39—C50179.3 (3)
N6—Co2—N9—C5084.4 (2)Co2—N8—C39—C505.1 (4)
N7—Co2—N9—C5053.9 (7)C39—N8—C40—C410.0 (6)
N10—Co2—N9—C5095.8 (2)Co2—N8—C40—C41174.8 (3)
O4—Co2—N10—C518.7 (3)N8—C40—C41—C420.2 (7)
N8—Co2—N10—C51164.1 (3)C40—C41—C42—C430.0 (7)
N9—Co2—N10—C5185.7 (3)C41—C42—C43—C390.4 (6)
N7—Co2—N10—C51100.3 (3)C41—C42—C43—C44179.1 (4)
C2—N1—C1—C52.0 (5)N8—C39—C43—C420.6 (5)
Co1—N1—C1—C5178.7 (3)C50—C39—C43—C42179.5 (3)
C2—N1—C1—C12177.2 (3)N8—C39—C43—C44178.9 (3)
Co1—N1—C1—C122.1 (4)C50—C39—C43—C440.0 (5)
C1—N1—C2—C32.2 (5)C42—C43—C44—C45179.2 (4)
Co1—N1—C2—C3178.6 (3)C39—C43—C44—C450.2 (6)
N1—C2—C3—C41.2 (6)C43—C44—C45—C460.3 (6)
C2—C3—C4—C50.1 (6)C44—C45—C46—C47179.0 (4)
N1—C1—C5—C40.7 (5)C44—C45—C46—C500.1 (5)
C12—C1—C5—C4178.4 (3)C50—C46—C47—C480.8 (6)
N1—C1—C5—C6179.4 (3)C45—C46—C47—C48179.7 (4)
C12—C1—C5—C60.2 (5)C46—C47—C48—C490.2 (6)
C3—C4—C5—C10.3 (5)C50—N9—C49—C480.4 (5)
C3—C4—C5—C6178.3 (4)Co2—N9—C49—C48176.9 (3)
C1—C5—C6—C70.5 (5)C47—C48—C49—N90.0 (6)
C4—C5—C6—C7178.1 (4)C49—N9—C50—C461.0 (5)
C5—C6—C7—C80.5 (6)Co2—N9—C50—C46176.7 (3)
C6—C7—C8—C9177.8 (4)C49—N9—C50—C39179.1 (3)
C6—C7—C8—C121.7 (6)Co2—N9—C50—C393.3 (4)
C12—C8—C9—C101.1 (5)C47—C46—C50—N91.2 (5)
C7—C8—C9—C10179.4 (4)C45—C46—C50—N9179.8 (3)
C8—C9—C10—C110.8 (6)C47—C46—C50—C39178.9 (3)
C12—N2—C11—C100.8 (5)C45—C46—C50—C390.1 (5)
Co1—N2—C11—C10177.4 (3)N8—C39—C50—N91.3 (5)
C9—C10—C11—N21.8 (6)C43—C39—C50—N9179.8 (3)
C11—N2—C12—C81.2 (5)N8—C39—C50—C46178.8 (3)
Co1—N2—C12—C8179.6 (3)C43—C39—C50—C460.2 (5)
C11—N2—C12—C1178.6 (3)Co2—N10—C51—C5250.8 (4)
Co1—N2—C12—C10.2 (4)N10—C51—C52—S279.5 (3)
C9—C8—C12—N22.2 (5)O6—S2—C52—C5163.1 (3)
C7—C8—C12—N2178.3 (3)O5—S2—C52—C51174.7 (3)
C9—C8—C12—C1177.6 (3)O4—S2—C52—C5155.6 (3)
C7—C8—C12—C11.9 (5)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N5—H52···O60.862.163.015 (4)173
N10—H102···O2i0.862.313.043 (4)143
Symmetry code: (i) x, y+1, z.
 

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