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The asymmetric unit of the title complex, [Co(NO3)2(C2H3N)(C12H11N3S)], comprises two CoII complexes with the same chemical formula but with different coordination behaviour of the nitrate ligands. The geometry of the CoII ion can be described as being inter­mediate between distorted pentagonal bipyramidal and distorted octahedral, whereby O atoms of one of the bidentate coordinating nitrate groups are considered as occupying one coordination site.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805017794/dn6222sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805017794/dn6222Isup2.hkl
Contains datablock I

CCDC reference: 277244

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.012 Å
  • R factor = 0.098
  • wR factor = 0.208
  • Data-to-parameter ratio = 11.9

checkCIF/PLATON results

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Alert level B PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low ....... 0.95
Alert level C PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature . 293 K PLAT230_ALERT_2_C Hirshfeld Test Diff for O8 - N11 .. 6.54 su PLAT322_ALERT_2_C Check Hybridisation of S1 in Main Residue . ? PLAT322_ALERT_2_C Check Hybridisation of S2 in Main Residue . ? PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 12
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL/PC (Sheldrick, 1999); software used to prepare material for publication: SHELXTL/PC.

(Acetonitrile-κN)[2-(3,5-dimethylpyrazol-1-yl)benzothiazole-κ2N,N'] (dinitrato-κ2O,O')cobalt(II) top
Crystal data top
[Co(NO3)2(C12H11N3S)(C2H3N)]Z = 4
Mr = 453.30F(000) = 924
Triclinic, P1Dx = 1.651 Mg m3
Hall symbol: -P1Mo Kα radiation, λ = 0.71073 Å
a = 9.407 (4) ÅCell parameters from 3897 reflections
b = 10.776 (4) Åθ = 2.3–27.0°
c = 18.174 (7) ŵ = 1.10 mm1
α = 84.279 (5)°T = 293 K
β = 86.952 (5)°Block, red
γ = 84.890 (5)°0.30 × 0.20 × 0.20 mm
V = 1824.1 (12) Å3
Data collection top
Bruker SMART 1K CCD area-detector
diffractometer
6103 independent reflections
Radiation source: fine-focus sealed tube5806 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.034
φ and ω scansθmax = 25.0°, θmin = 1.9°
Absorption correction: multi-scan
(SADABS; Sheldrick, 2000)
h = 1111
Tmin = 0.733, Tmax = 0.810k = 812
7293 measured reflectionsl = 2021
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)] = 0.098Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.208H-atom parameters constrained
S = 1.20 w = 1/[σ2(Fo2) + (0.0478P)2 + 16.6816P]
where P = (Fo2 + 2Fc2)/3
6103 reflections(Δ/σ)max < 0.001
511 parametersΔρmax = 1.20 e Å3
0 restraintsΔρmin = 0.66 e Å3
Special details top

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 (Å2) top
xyzUiso*/Ueq
Co10.20351 (11)0.26034 (10)0.07786 (6)0.0264 (3)
Co20.28198 (11)0.20198 (10)0.56792 (6)0.0281 (3)
S10.6232 (2)0.13459 (19)0.04103 (11)0.0302 (5)
S20.1149 (2)0.38665 (19)0.45468 (11)0.0290 (4)
N10.4167 (6)0.1902 (6)0.0540 (3)0.0235 (13)
N20.3453 (7)0.2280 (6)0.0672 (4)0.0288 (15)
N30.2092 (6)0.2505 (6)0.0372 (4)0.0248 (14)
N40.1544 (7)0.0447 (7)0.1510 (4)0.0304 (15)
N50.3198 (8)0.4671 (7)0.1003 (4)0.0391 (18)
N60.0050 (7)0.3363 (6)0.0992 (4)0.0341 (16)
N70.2953 (7)0.2589 (6)0.4544 (4)0.0275 (14)
N80.1630 (7)0.2953 (6)0.4253 (4)0.0274 (14)
N90.0735 (6)0.2801 (6)0.5473 (3)0.0239 (13)
N100.3238 (7)0.4015 (7)0.6396 (4)0.0335 (16)
N110.1659 (8)0.0085 (8)0.5965 (5)0.045 (2)
N120.4888 (7)0.1238 (7)0.5910 (4)0.0386 (17)
O10.1306 (6)0.0676 (6)0.0827 (3)0.0376 (14)
O20.1451 (7)0.0563 (6)0.1864 (4)0.0474 (16)
O30.1950 (6)0.1370 (6)0.1805 (3)0.0391 (14)
O40.2766 (7)0.4563 (6)0.0390 (4)0.0439 (15)
O50.3819 (8)0.5564 (7)0.1130 (5)0.070 (2)
O60.2927 (7)0.3798 (5)0.1502 (3)0.0383 (14)
O70.2185 (7)0.0228 (6)0.5323 (4)0.0513 (17)
O80.1026 (8)0.1035 (7)0.6076 (6)0.081 (3)
O90.1847 (7)0.0616 (6)0.6451 (4)0.0456 (16)
O100.2735 (7)0.2983 (6)0.6632 (3)0.0423 (15)
O110.3293 (8)0.4838 (6)0.6807 (4)0.0504 (17)
O120.3644 (6)0.4112 (6)0.5737 (3)0.0374 (14)
C10.0294 (9)0.3042 (9)0.0878 (5)0.043 (2)
H1A0.07280.22950.06870.064*
H1B0.06580.33330.13540.064*
H1C0.05140.36750.05440.064*
C20.1288 (8)0.2763 (7)0.0954 (4)0.0288 (17)
C30.2108 (9)0.2691 (8)0.1613 (5)0.0346 (19)
H30.17740.28410.20890.041*
C40.3490 (9)0.2362 (7)0.1433 (4)0.0269 (17)
C50.4806 (9)0.2162 (8)0.1907 (5)0.0341 (19)
H5A0.51850.13050.18260.051*
H5B0.55010.27000.17840.051*
H5C0.45850.23520.24180.051*
C60.4508 (8)0.1892 (7)0.0162 (4)0.0263 (16)
C70.6569 (8)0.1090 (7)0.0528 (5)0.0288 (17)
C80.7840 (9)0.0622 (8)0.0867 (5)0.036 (2)
H80.86610.04020.05850.043*
C90.7836 (9)0.0501 (8)0.1618 (5)0.038 (2)
H90.86700.01890.18490.046*
C100.6614 (9)0.0831 (8)0.2059 (5)0.036 (2)
H100.66470.07390.25720.043*
C110.5349 (9)0.1298 (7)0.1722 (5)0.0333 (18)
H110.45280.15130.20060.040*
C120.5347 (8)0.1436 (7)0.0947 (4)0.0272 (17)
C130.1202 (9)0.3690 (7)0.1153 (4)0.0306 (18)
C140.2654 (9)0.4114 (8)0.1351 (6)0.045 (2)
H14A0.26680.45920.17700.067*
H14B0.32000.34050.14740.067*
H14C0.30640.46290.09400.067*
C150.5437 (9)0.2336 (9)0.4057 (5)0.042 (2)
H15A0.57330.27940.44400.063*
H15B0.59520.25700.36010.063*
H15C0.56300.14550.41910.063*
C160.3886 (9)0.2627 (7)0.3960 (5)0.0313 (18)
C170.3169 (9)0.3008 (7)0.3308 (5)0.0329 (18)
H170.35870.31150.28330.039*
C180.1753 (9)0.3195 (7)0.3495 (4)0.0272 (17)
C190.0501 (9)0.3599 (9)0.3025 (4)0.0348 (19)
H19A0.08230.37070.25150.052*
H19B0.00480.43760.31710.052*
H19C0.01700.29710.30900.052*
C200.0504 (7)0.3118 (7)0.4769 (4)0.0244 (16)
C210.1642 (8)0.3727 (6)0.5488 (4)0.0251 (16)
C220.2938 (8)0.4109 (7)0.5838 (5)0.0304 (18)
H220.36960.44950.55690.036*
C230.3052 (9)0.3896 (7)0.6587 (4)0.0312 (18)
H230.39030.41610.68300.037*
C240.1952 (8)0.3299 (8)0.7008 (4)0.0327 (19)
H240.20870.31580.75190.039*
C250.0654 (9)0.2912 (7)0.6667 (4)0.0302 (17)
H250.00940.25230.69430.036*
C260.0506 (8)0.3130 (7)0.5885 (4)0.0259 (17)
C270.5968 (9)0.0844 (7)0.6093 (5)0.0323 (18)
C280.7358 (9)0.0355 (8)0.6338 (6)0.040 (2)
H28A0.79670.10260.63270.060*
H28B0.77660.02510.60170.060*
H28C0.72660.00370.68350.060*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Co10.0231 (5)0.0302 (6)0.0257 (6)0.0016 (4)0.0006 (4)0.0053 (4)
Co20.0241 (6)0.0328 (6)0.0262 (6)0.0004 (4)0.0050 (4)0.0028 (4)
S10.0222 (10)0.0343 (11)0.0329 (11)0.0028 (8)0.0006 (8)0.0036 (8)
S20.0233 (10)0.0321 (11)0.0304 (11)0.0025 (8)0.0059 (8)0.0010 (8)
N10.015 (3)0.027 (3)0.030 (4)0.008 (2)0.001 (2)0.006 (3)
N20.027 (3)0.031 (4)0.029 (4)0.005 (3)0.008 (3)0.003 (3)
N30.015 (3)0.028 (3)0.032 (4)0.000 (2)0.002 (3)0.001 (3)
N40.027 (3)0.038 (4)0.025 (4)0.003 (3)0.001 (3)0.001 (3)
N50.036 (4)0.029 (4)0.050 (5)0.002 (3)0.000 (4)0.000 (3)
N60.031 (4)0.034 (4)0.037 (4)0.005 (3)0.000 (3)0.004 (3)
N70.023 (3)0.031 (4)0.027 (4)0.003 (3)0.003 (3)0.003 (3)
N80.023 (3)0.028 (4)0.030 (4)0.003 (3)0.001 (3)0.000 (3)
N90.027 (3)0.022 (3)0.022 (3)0.002 (3)0.006 (3)0.003 (3)
N100.027 (4)0.039 (4)0.034 (4)0.001 (3)0.008 (3)0.001 (3)
N110.032 (4)0.049 (5)0.049 (5)0.018 (4)0.005 (4)0.005 (4)
N120.026 (4)0.050 (5)0.038 (4)0.001 (3)0.008 (3)0.002 (3)
O10.032 (3)0.050 (4)0.031 (3)0.006 (3)0.006 (2)0.010 (3)
O20.051 (4)0.037 (4)0.051 (4)0.002 (3)0.003 (3)0.009 (3)
O30.043 (4)0.044 (4)0.032 (3)0.007 (3)0.003 (3)0.004 (3)
O40.046 (4)0.038 (4)0.047 (4)0.001 (3)0.005 (3)0.004 (3)
O50.053 (5)0.042 (4)0.125 (7)0.022 (4)0.007 (4)0.036 (4)
O60.058 (4)0.034 (3)0.023 (3)0.003 (3)0.007 (3)0.007 (3)
O70.058 (4)0.040 (4)0.054 (4)0.000 (3)0.001 (3)0.003 (3)
O80.057 (5)0.032 (4)0.151 (8)0.024 (4)0.000 (5)0.015 (4)
O90.048 (4)0.045 (4)0.042 (4)0.003 (3)0.002 (3)0.009 (3)
O100.046 (4)0.043 (4)0.039 (4)0.012 (3)0.008 (3)0.002 (3)
O110.063 (5)0.052 (4)0.038 (4)0.002 (3)0.011 (3)0.013 (3)
O120.025 (3)0.060 (4)0.027 (3)0.002 (3)0.004 (2)0.010 (3)
C10.036 (5)0.058 (6)0.037 (5)0.001 (4)0.013 (4)0.019 (4)
C20.027 (4)0.031 (4)0.029 (4)0.008 (3)0.002 (3)0.002 (3)
C30.035 (5)0.036 (5)0.032 (5)0.002 (4)0.004 (4)0.002 (4)
C40.038 (4)0.021 (4)0.021 (4)0.002 (3)0.001 (3)0.005 (3)
C50.033 (4)0.038 (5)0.030 (5)0.001 (4)0.002 (3)0.001 (4)
C60.025 (4)0.026 (4)0.027 (4)0.003 (3)0.002 (3)0.003 (3)
C70.023 (4)0.020 (4)0.044 (5)0.004 (3)0.003 (3)0.002 (3)
C80.034 (5)0.031 (5)0.044 (5)0.007 (4)0.008 (4)0.004 (4)
C90.028 (4)0.034 (5)0.053 (6)0.001 (4)0.017 (4)0.001 (4)
C100.032 (4)0.040 (5)0.036 (5)0.004 (4)0.018 (4)0.002 (4)
C110.033 (4)0.030 (4)0.037 (5)0.000 (3)0.003 (4)0.002 (4)
C120.028 (4)0.025 (4)0.030 (4)0.005 (3)0.006 (3)0.007 (3)
C130.034 (5)0.027 (4)0.029 (4)0.001 (3)0.002 (3)0.000 (3)
C140.033 (5)0.032 (5)0.067 (7)0.005 (4)0.003 (4)0.006 (4)
C150.040 (5)0.040 (5)0.047 (6)0.005 (4)0.003 (4)0.010 (4)
C160.039 (5)0.021 (4)0.034 (5)0.000 (3)0.001 (4)0.007 (3)
C170.042 (5)0.031 (4)0.025 (4)0.001 (4)0.006 (4)0.003 (3)
C180.038 (4)0.029 (4)0.015 (4)0.003 (3)0.003 (3)0.003 (3)
C190.031 (4)0.051 (5)0.022 (4)0.001 (4)0.003 (3)0.000 (4)
C200.018 (4)0.019 (4)0.036 (5)0.002 (3)0.001 (3)0.001 (3)
C210.025 (4)0.016 (4)0.034 (4)0.004 (3)0.003 (3)0.004 (3)
C220.029 (4)0.024 (4)0.037 (5)0.001 (3)0.005 (3)0.001 (3)
C230.030 (4)0.031 (4)0.031 (4)0.003 (3)0.009 (3)0.002 (3)
C240.028 (4)0.048 (5)0.021 (4)0.009 (4)0.010 (3)0.001 (4)
C250.030 (4)0.029 (4)0.032 (4)0.006 (3)0.001 (3)0.005 (3)
C260.018 (4)0.024 (4)0.035 (4)0.007 (3)0.002 (3)0.007 (3)
C270.040 (5)0.019 (4)0.040 (5)0.005 (3)0.005 (4)0.007 (3)
C280.032 (5)0.030 (5)0.059 (6)0.003 (4)0.011 (4)0.010 (4)
Geometric parameters (Å, º) top
Co1—N62.090 (7)C2—C31.396 (11)
Co1—N32.101 (7)C3—C41.364 (11)
Co1—N12.118 (6)C3—H30.9300
Co1—O62.177 (6)C4—C51.482 (11)
Co1—O32.183 (6)C5—H5A0.9600
Co1—O12.236 (6)C5—H5B0.9600
Co1—O42.311 (6)C5—H5C0.9600
Co2—N72.094 (6)C7—C121.389 (11)
Co2—N122.097 (7)C7—C81.405 (11)
Co2—O102.100 (6)C8—C91.358 (13)
Co2—N92.101 (6)C8—H80.9300
Co2—O92.187 (6)C9—C101.405 (13)
Co2—O72.236 (7)C9—H90.9300
S1—C61.728 (8)C10—C111.398 (11)
S1—C71.741 (9)C10—H100.9300
S2—C201.735 (7)C11—C121.401 (11)
S2—C211.743 (8)C11—H110.9300
N1—C61.299 (10)C13—C141.441 (11)
N1—C121.396 (10)C14—H14A0.9600
N2—N31.376 (9)C14—H14B0.9600
N2—C41.377 (10)C14—H14C0.9600
N2—C61.401 (10)C15—C161.480 (12)
N3—C21.325 (10)C15—H15A0.9600
N4—O21.216 (9)C15—H15B0.9600
N4—O11.269 (9)C15—H15C0.9600
N4—O31.272 (9)C16—C171.404 (12)
N5—O51.217 (9)C17—C181.360 (11)
N5—O41.225 (10)C17—H170.9300
N5—O61.273 (9)C18—C191.499 (11)
N6—C131.141 (10)C19—H19A0.9600
N7—C161.340 (10)C19—H19B0.9600
N7—N81.387 (9)C19—H19C0.9600
N8—C181.376 (10)C21—C221.393 (11)
N8—C201.389 (9)C21—C261.395 (10)
N9—C201.315 (10)C22—C231.358 (11)
N9—C261.392 (10)C22—H220.9300
N10—O111.222 (9)C23—C241.392 (11)
N10—O121.235 (9)C23—H230.9300
N10—O101.274 (9)C24—C251.388 (11)
N11—O81.224 (10)C24—H240.9300
N11—O91.248 (10)C25—C261.418 (11)
N11—O71.269 (10)C25—H250.9300
N12—C271.120 (10)C27—C281.442 (12)
C1—C21.494 (11)C28—H28A0.9600
C1—H1A0.9600C28—H28B0.9600
C1—H1B0.9600C28—H28C0.9600
C1—H1C0.9600
N6—Co1—N3102.3 (3)C2—C3—H3126.2
N6—Co1—N1177.7 (3)C3—C4—N2104.6 (7)
N3—Co1—N176.9 (2)C3—C4—C5130.9 (7)
N6—Co1—O692.6 (3)N2—C4—C5124.4 (7)
N3—Co1—O6134.6 (2)C4—C5—H5A109.5
N1—Co1—O686.5 (2)C4—C5—H5B109.5
N6—Co1—O391.0 (3)H5A—C5—H5B109.5
N3—Co1—O3139.7 (2)C4—C5—H5C109.5
N1—Co1—O391.0 (2)H5A—C5—H5C109.5
O6—Co1—O381.4 (2)H5B—C5—H5C109.5
N6—Co1—O191.3 (2)N1—C6—N2118.6 (7)
N3—Co1—O183.8 (2)N1—C6—S1117.6 (6)
N1—Co1—O190.7 (2)N2—C6—S1123.7 (6)
O6—Co1—O1139.0 (2)C12—C7—C8121.0 (8)
O3—Co1—O157.7 (2)C12—C7—S1109.9 (6)
N6—Co1—O491.2 (3)C8—C7—S1129.1 (7)
N3—Co1—O480.7 (2)C9—C8—C7118.1 (8)
N1—Co1—O486.6 (2)C9—C8—H8120.9
O6—Co1—O456.1 (2)C7—C8—H8120.9
O3—Co1—O4137.5 (2)C8—C9—C10122.3 (8)
O1—Co1—O4164.6 (2)C8—C9—H9118.9
N7—Co2—N12103.9 (3)C10—C9—H9118.9
N7—Co2—O10133.5 (3)C11—C10—C9119.7 (8)
N12—Co2—O1090.5 (3)C11—C10—H10120.2
N7—Co2—N977.4 (2)C9—C10—H10120.2
N12—Co2—N9178.7 (3)C10—C11—C12118.4 (8)
O10—Co2—N988.4 (2)C10—C11—H11120.8
N7—Co2—O9139.8 (3)C12—C11—H11120.8
N12—Co2—O992.1 (3)C7—C12—N1115.0 (7)
O10—Co2—O981.8 (3)C7—C12—C11120.5 (7)
N9—Co2—O987.0 (2)N1—C12—C11124.5 (7)
N7—Co2—O784.6 (3)N6—C13—C14179.4 (10)
N12—Co2—O792.5 (3)C13—C14—H14A109.5
O10—Co2—O7139.5 (3)C13—C14—H14B109.5
N9—Co2—O787.8 (2)H14A—C14—H14B109.5
O9—Co2—O757.7 (3)C13—C14—H14C109.5
C6—S1—C788.1 (4)H14A—C14—H14C109.5
C20—S2—C2188.2 (4)H14B—C14—H14C109.5
C6—N1—C12109.3 (6)C16—C15—H15A109.5
C6—N1—Co1114.4 (5)C16—C15—H15B109.5
C12—N1—Co1136.4 (5)H15A—C15—H15B109.5
N3—N2—C4112.3 (6)C16—C15—H15C109.5
N3—N2—C6115.6 (6)H15A—C15—H15C109.5
C4—N2—C6131.7 (7)H15B—C15—H15C109.5
C2—N3—N2104.3 (6)N7—C16—C17110.1 (7)
C2—N3—Co1141.6 (5)N7—C16—C15121.1 (8)
N2—N3—Co1113.1 (4)C17—C16—C15128.8 (8)
O2—N4—O1124.8 (7)C18—C17—C16107.6 (7)
O2—N4—O3121.1 (7)C18—C17—H17126.2
O1—N4—O3114.1 (6)C16—C17—H17126.2
O5—N5—O4122.3 (8)C17—C18—N8106.1 (7)
O5—N5—O6122.2 (9)C17—C18—C19130.7 (7)
O4—N5—O6115.5 (7)N8—C18—C19123.2 (7)
C13—N6—Co1174.0 (7)C18—C19—H19A109.5
C16—N7—N8105.2 (6)C18—C19—H19B109.5
C16—N7—Co2141.5 (6)H19A—C19—H19B109.5
N8—N7—Co2113.0 (4)C18—C19—H19C109.5
C18—N8—N7111.0 (6)H19A—C19—H19C109.5
C18—N8—C20133.2 (7)H19B—C19—H19C109.5
N7—N8—C20115.5 (6)N9—C20—N8118.6 (6)
C20—N9—C26108.3 (6)N9—C20—S2117.7 (6)
C20—N9—Co2114.2 (5)N8—C20—S2123.3 (6)
C26—N9—Co2137.4 (5)C22—C21—C26121.7 (7)
O11—N10—O12123.8 (7)C22—C21—S2128.9 (6)
O11—N10—O10120.8 (7)C26—C21—S2109.4 (6)
O12—N10—O10115.5 (7)C23—C22—C21117.5 (7)
O8—N11—O9124.1 (9)C23—C22—H22121.3
O8—N11—O7119.8 (9)C21—C22—H22121.3
O9—N11—O7116.1 (8)C22—C23—C24123.0 (7)
C27—N12—Co2174.1 (7)C22—C23—H23118.5
N4—O1—Co192.8 (4)C24—C23—H23118.5
N4—O3—Co195.2 (4)C25—C24—C23120.2 (7)
N5—O4—Co191.5 (5)C25—C24—H24119.9
N5—O6—Co196.5 (5)C23—C24—H24119.9
N11—O7—Co291.4 (6)C24—C25—C26117.9 (7)
N11—O9—Co294.3 (5)C24—C25—H25121.1
N10—O10—Co2103.1 (5)C26—C25—H25121.1
C2—C1—H1A109.5N9—C26—C21116.2 (7)
C2—C1—H1B109.5N9—C26—C25124.0 (7)
H1A—C1—H1B109.5C21—C26—C25119.8 (7)
C2—C1—H1C109.5N12—C27—C28178.9 (9)
H1A—C1—H1C109.5C27—C28—H28A109.5
H1B—C1—H1C109.5C27—C28—H28B109.5
N3—C2—C3111.1 (7)H28A—C28—H28B109.5
N3—C2—C1122.3 (7)C27—C28—H28C109.5
C3—C2—C1126.6 (7)H28A—C28—H28C109.5
C4—C3—C2107.6 (7)H28B—C28—H28C109.5
C4—C3—H3126.2
N3—Co1—N1—C67.4 (5)N12—Co2—O9—N1195.3 (5)
O6—Co1—N1—C6130.0 (5)O10—Co2—O9—N11174.5 (5)
O3—Co1—N1—C6148.6 (5)N9—Co2—O9—N1185.6 (5)
O1—Co1—N1—C690.9 (5)O7—Co2—O9—N113.7 (4)
O4—Co1—N1—C673.9 (5)O11—N10—O10—Co2177.1 (6)
N3—Co1—N1—C12173.0 (7)O12—N10—O10—Co22.5 (7)
O6—Co1—N1—C1249.5 (7)N7—Co2—O10—N1020.2 (6)
O3—Co1—N1—C1231.8 (7)N12—Co2—O10—N1089.7 (5)
O1—Co1—N1—C1289.5 (7)N9—Co2—O10—N1091.1 (5)
O4—Co1—N1—C12105.7 (7)O9—Co2—O10—N10178.3 (5)
C4—N2—N3—C21.7 (8)O7—Co2—O10—N10175.9 (4)
C6—N2—N3—C2175.5 (6)N2—N3—C2—C30.7 (9)
C4—N2—N3—Co1173.0 (5)Co1—N3—C2—C3167.7 (6)
C6—N2—N3—Co113.2 (8)N2—N3—C2—C1178.7 (7)
N6—Co1—N3—C20.7 (9)Co1—N3—C2—C114.3 (13)
N1—Co1—N3—C2177.2 (9)N3—C2—C3—C40.6 (10)
O6—Co1—N3—C2105.7 (9)C1—C2—C3—C4177.3 (8)
O3—Co1—N3—C2107.1 (9)C2—C3—C4—N21.5 (9)
O1—Co1—N3—C290.6 (9)C2—C3—C4—C5179.4 (8)
O4—Co1—N3—C288.5 (9)N3—N2—C4—C32.1 (8)
N6—Co1—N3—N2166.9 (5)C6—N2—C4—C3174.6 (8)
N1—Co1—N3—N210.9 (5)N3—N2—C4—C5179.8 (7)
O6—Co1—N3—N260.6 (6)C6—N2—C4—C57.4 (13)
O3—Co1—N3—N286.6 (6)C12—N1—C6—N2177.6 (6)
O1—Co1—N3—N2103.1 (5)Co1—N1—C6—N22.7 (9)
O4—Co1—N3—N277.7 (5)C12—N1—C6—S10.2 (8)
N12—Co2—N7—C161.5 (9)Co1—N1—C6—S1179.5 (3)
O10—Co2—N7—C16102.9 (9)N3—N2—C6—N17.1 (10)
N9—Co2—N7—C16178.3 (9)C4—N2—C6—N1179.4 (7)
O9—Co2—N7—C16112.0 (9)N3—N2—C6—S1170.5 (5)
O7—Co2—N7—C1692.7 (9)C4—N2—C6—S11.8 (12)
N12—Co2—N7—N8170.2 (5)C7—S1—C6—N10.0 (6)
O10—Co2—N7—N885.4 (6)C7—S1—C6—N2177.7 (7)
N9—Co2—N7—N810.0 (5)C6—S1—C7—C120.2 (6)
O9—Co2—N7—N859.7 (7)C6—S1—C7—C8179.2 (8)
O7—Co2—N7—N879.0 (5)C12—C7—C8—C90.9 (12)
C16—N7—N8—C180.9 (8)S1—C7—C8—C9179.7 (6)
Co2—N7—N8—C18173.8 (5)C7—C8—C9—C100.3 (13)
C16—N7—N8—C20173.1 (6)C8—C9—C10—C110.2 (13)
Co2—N7—N8—C2012.2 (8)C9—C10—C11—C120.7 (12)
N7—Co2—N9—C206.6 (5)C8—C7—C12—N1179.1 (7)
O10—Co2—N9—C20142.0 (5)S1—C7—C12—N10.3 (8)
O9—Co2—N9—C20136.1 (5)C8—C7—C12—C111.5 (11)
O7—Co2—N9—C2078.3 (5)S1—C7—C12—C11179.1 (6)
N7—Co2—N9—C26170.5 (8)C6—N1—C12—C70.3 (9)
O10—Co2—N9—C2635.2 (7)Co1—N1—C12—C7179.3 (5)
O9—Co2—N9—C2646.8 (7)C6—N1—C12—C11179.0 (7)
O7—Co2—N9—C26104.6 (7)Co1—N1—C12—C111.4 (12)
O2—N4—O1—Co1173.7 (7)C10—C11—C12—C71.4 (12)
O3—N4—O1—Co14.0 (6)C10—C11—C12—N1179.3 (7)
N6—Co1—O1—N492.8 (4)N8—N7—C16—C170.1 (9)
N3—Co1—O1—N4164.9 (4)Co2—N7—C16—C17172.0 (6)
N1—Co1—O1—N488.2 (4)N8—N7—C16—C15177.9 (7)
O6—Co1—O1—N42.7 (6)Co2—N7—C16—C1510.0 (13)
O3—Co1—O1—N42.5 (4)N7—C16—C17—C180.7 (9)
O4—Co1—O1—N4168.0 (7)C15—C16—C17—C18178.5 (8)
O2—N4—O3—Co1173.7 (6)C16—C17—C18—N81.2 (9)
O1—N4—O3—Co14.1 (6)C16—C17—C18—C19179.7 (8)
N6—Co1—O3—N493.4 (5)N7—N8—C18—C171.3 (9)
N3—Co1—O3—N417.0 (6)C20—N8—C18—C17171.3 (8)
N1—Co1—O3—N487.7 (4)N7—N8—C18—C19179.5 (7)
O6—Co1—O3—N4174.1 (5)C20—N8—C18—C197.9 (13)
O1—Co1—O3—N42.5 (4)C26—N9—C20—N8175.8 (6)
O4—Co1—O3—N4173.8 (4)Co2—N9—C20—N82.2 (8)
O5—N5—O4—Co1175.6 (7)C26—N9—C20—S22.2 (8)
O6—N5—O4—Co15.9 (7)Co2—N9—C20—S2175.8 (3)
N6—Co1—O4—N596.1 (5)C18—N8—C20—N9179.1 (7)
N3—Co1—O4—N5161.6 (5)N7—N8—C20—N96.8 (10)
N1—Co1—O4—N584.4 (5)C18—N8—C20—S25.9 (12)
O6—Co1—O4—N53.7 (4)N7—N8—C20—S2166.5 (5)
O3—Co1—O4—N53.4 (6)C21—S2—C20—N91.5 (6)
O1—Co1—O4—N5164.7 (7)C21—S2—C20—N8174.8 (6)
O5—N5—O6—Co1175.2 (7)C20—S2—C21—C22179.1 (7)
O4—N5—O6—Co16.3 (7)C20—S2—C21—C260.2 (6)
N6—Co1—O6—N593.3 (5)C26—C21—C22—C231.0 (11)
N3—Co1—O6—N516.9 (6)S2—C21—C22—C23179.7 (6)
N1—Co1—O6—N584.6 (5)C21—C22—C23—C241.3 (12)
O3—Co1—O6—N5176.1 (5)C22—C23—C24—C251.4 (13)
O1—Co1—O6—N5171.7 (4)C23—C24—C25—C261.0 (12)
O4—Co1—O6—N53.6 (4)C20—N9—C26—C212.0 (9)
O8—N11—O7—Co2174.8 (7)Co2—N9—C26—C21175.3 (5)
O9—N11—O7—Co26.0 (7)C20—N9—C26—C25179.2 (7)
N7—Co2—O7—N11161.7 (5)Co2—N9—C26—C253.5 (12)
N12—Co2—O7—N1194.5 (5)C22—C21—C26—N9179.6 (7)
O10—Co2—O7—N110.8 (7)S2—C21—C26—N91.0 (8)
N9—Co2—O7—N1184.2 (5)C22—C21—C26—C250.7 (11)
O9—Co2—O7—N113.6 (4)S2—C21—C26—C25179.9 (6)
O8—N11—O9—Co2174.6 (7)C24—C25—C26—N9179.5 (7)
O7—N11—O9—Co26.1 (7)C24—C25—C26—C210.7 (11)
N7—Co2—O9—N1119.3 (7)
 

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