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metal-organic compounds
In the crystal structure of the title compound, poly[[cobalt(II)-di-μ3-formato] dimethylformamide 0.33-solvate] [Co(CHO2)2]·0.33C3H7NO, the units of Co(HCO2)2 are assembled into a three-dimensional framework through carboxylate bridging. The four symmetry-independent Co atoms show nearly regular octahedral coordination; two of them lie on inversion centres.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805007786/bt6622sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536805007786/bt6622Isup2.hkl |
CCDC reference: 250019
Key indicators
- Single-crystal X-ray study
- T = 295 K
- Mean (O-C) = 0.004 Å
- Disorder in solvent or counterion
- R factor = 0.033
- wR factor = 0.079
- Data-to-parameter ratio = 13.5
checkCIF/PLATON results
No syntax errors found
Alert level C ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR') is < 0.90 Tmin and Tmax reported: 0.537 0.767 Tmin' and Tmax expected: 0.692 0.764 RR' = 0.773 Please check that your absorption correction is appropriate. 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 ............ 0.33 Ratio PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large ............. 0.76 PLAT243_ALERT_4_C High 'Solvent' Ueq as Compared to Neighbors for O13 PLAT243_ALERT_4_C High 'Solvent' Ueq as Compared to Neighbors for C7' PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for N1 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.41 PLAT302_ALERT_4_C Anion/Solvent Disorder ......................... 38.00 Perc. PLAT432_ALERT_2_C Short Inter X...Y Contact O13 .. C3 .. 2.98 Ang. PLAT432_ALERT_2_C Short Inter X...Y Contact C4 .. C7' .. 3.14 Ang.
Alert level G CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected. CELLZ01_ALERT_1_G ALERT: check formula stoichiometry or atom site occupancies. From the CIF: _cell_formula_units_Z 12 From the CIF: _chemical_formula_sum C3 H4.33 Co N0.33 O4.33 TEST: Compare cell contents of formula and atom_site data atom Z*formula cif sites diff C 36.00 36.00 0.00 H 51.96 52.00 -0.04 Co 12.00 12.00 0.00 N 3.96 4.00 -0.04 O 51.96 52.00 -0.04
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 12 ALERT level C = Check and explain 2 ALERT level G = General alerts; check 5 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 4 ALERT type 4 Improvement, methodology, query or suggestion
Computing details top
Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.
poly[[cobalt(II)-di-µ3-formato] dimethylformamide 0.33-solvate top
Crystal data top
[Co(CHO2)2]·0.33C3H7NO | F(000) = 1036 |
Mr = 173.33 | Dx = 2.052 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2yn | Cell parameters from 3103 reflections |
a = 11.3457 (7) Å | θ = 2.2–27.0° |
b = 10.0117 (7) Å | µ = 2.99 mm−1 |
c = 14.820 (1) Å | T = 295 K |
β = 91.372 (1)° | Block, red |
V = 1682.9 (2) Å3 | 0.12 × 0.10 × 0.09 mm |
Z = 12 |
Data collection top
Bruker APEX area-detector diffractometer | 3639 independent reflections |
Radiation source: fine-focus sealed tube | 3055 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.033 |
φ and ω scans | θmax = 27.0°, θmin = 2.2° |
Absorption correction: multi-scan (SADABS; Bruker, 2002) | h = −14→10 |
Tmin = 0.537, Tmax = 0.767 | k = −12→12 |
9679 measured reflections | l = −15→18 |
Refinement top
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.033 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.079 | H-atom parameters constrained |
S = 0.97 | w = 1/[σ2(Fo2) + (0.0444P)2] where P = (Fo2 + 2Fc2)/3 |
3639 reflections | (Δ/σ)max = 0.001 |
270 parameters | Δρmax = 0.50 e Å−3 |
19 restraints | Δρmin = −0.36 e Å−3 |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Co1 | 0.5000 | 0.5000 | 0.5000 | 0.0206 (1) | |
Co2 | 0.0000 | 0.5000 | 0.5000 | 0.0207 (1) | |
Co3 | 0.24509 (3) | 0.42763 (4) | 0.36592 (2) | 0.01674 (11) | |
Co4 | 0.23945 (3) | 0.12263 (3) | 0.30462 (2) | 0.01856 (11) | |
O1 | 0.3143 (2) | 0.5265 (2) | 0.4771 (1) | 0.0222 (4) | |
O2 | 0.1518 (2) | 0.5967 (2) | 0.5439 (2) | 0.0327 (5) | |
O3 | 0.5413 (2) | 0.5099 (2) | 0.3638 (1) | 0.0328 (5) | |
O4 | 0.3716 (2) | 0.5167 (2) | 0.2854 (1) | 0.0221 (4) | |
O5 | 0.4813 (2) | 0.2949 (2) | 0.4933 (1) | 0.0313 (5) | |
O6 | 0.3432 (2) | 0.2510 (2) | 0.3868 (1) | 0.0221 (4) | |
O7 | −0.0066 (2) | 0.6277 (2) | 0.3892 (1) | 0.0335 (5) | |
O8 | 0.1524 (2) | 0.5900 (2) | 0.3076 (1) | 0.0218 (4) | |
O9 | 0.0984 (2) | 0.3525 (2) | 0.4312 (1) | 0.0219 (4) | |
O10 | 0.1036 (2) | 0.1362 (2) | 0.3934 (1) | 0.0265 (5) | |
O11 | 0.1949 (2) | 0.3116 (2) | 0.2512 (1) | 0.0213 (4) | |
O12 | 0.1936 (2) | 0.4540 (2) | 0.1347 (1) | 0.0292 (5) | |
O13 | 0.3714 (5) | 0.8617 (5) | 0.6659 (3) | 0.137 (2) | |
N1 | 0.2888 (3) | 1.0663 (4) | 0.6607 (2) | 0.070 (1) | |
C1 | 0.2586 (3) | 0.5950 (3) | 0.5345 (2) | 0.0249 (6) | |
C2 | 0.4821 (3) | 0.5279 (3) | 0.2946 (2) | 0.0285 (7) | |
C3 | 0.4237 (3) | 0.2191 (3) | 0.4439 (2) | 0.0273 (7) | |
C4 | 0.0583 (3) | 0.6512 (3) | 0.3258 (2) | 0.0282 (7) | |
C5 | 0.0624 (3) | 0.2335 (3) | 0.4330 (2) | 0.0258 (6) | |
C6 | 0.1788 (3) | 0.3426 (3) | 0.1686 (2) | 0.0254 (7) | |
C7 | 0.2937 (6) | 0.9422 (9) | 0.6307 (4) | 0.101 (4) | 0.60 (1) |
C8 | 0.3687 (9) | 1.113 (1) | 0.7302 (6) | 0.146 (6) | 0.60 (1) |
C9 | 0.2078 (9) | 1.163 (1) | 0.6271 (7) | 0.144 (7) | 0.60 (1) |
C7' | 0.3688 (9) | 0.9844 (9) | 0.6982 (6) | 0.128 (8) | 0.40 (1) |
C8' | 0.2113 (9) | 1.016 (2) | 0.5899 (6) | 0.109 (7) | 0.40 (1) |
C9' | 0.275 (1) | 1.2007 (8) | 0.688 (1) | 0.145 (9) | 0.40 (1) |
H1 | 0.3035 | 0.6491 | 0.5731 | 0.030* | |
H2 | 0.5228 | 0.5523 | 0.2434 | 0.034* | |
H3 | 0.4410 | 0.1286 | 0.4489 | 0.033* | |
H4 | 0.0360 | 0.7208 | 0.2875 | 0.034* | |
H5 | −0.0028 | 0.2170 | 0.4683 | 0.031* | |
H6 | 0.1534 | 0.2748 | 0.1299 | 0.030* | |
H7 | 0.2422 | 0.9131 | 0.5850 | 0.122* | 0.60 (1) |
H81 | 0.3264 | 1.1648 | 0.7729 | 0.219* | 0.60 (1) |
H82 | 0.4289 | 1.1663 | 0.7039 | 0.219* | 0.60 (1) |
H83 | 0.4044 | 1.0372 | 0.7603 | 0.219* | 0.60 (1) |
H91 | 0.1534 | 1.1214 | 0.5851 | 0.216* | 0.60 (1) |
H92 | 0.2498 | 1.2327 | 0.5971 | 0.216* | 0.60 (1) |
H93 | 0.1651 | 1.2002 | 0.6763 | 0.216* | 0.60 (1) |
H7' | 0.4199 | 1.0123 | 0.7444 | 0.154* | 0.40 (1) |
H81' | 0.2552 | 1.0022 | 0.5361 | 0.163* | 0.40 (1) |
H82' | 0.1493 | 1.0790 | 0.5780 | 0.163* | 0.40 (1) |
H83' | 0.1779 | 0.9324 | 0.6085 | 0.163* | 0.40 (1) |
H91' | 0.2598 | 1.2557 | 0.6363 | 0.217* | 0.40 (1) |
H92' | 0.3465 | 1.2303 | 0.7184 | 0.217* | 0.40 (1) |
H93' | 0.2108 | 1.2071 | 0.7287 | 0.217* | 0.40 (1) |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Co1 | 0.0151 (3) | 0.0245 (3) | 0.0221 (3) | 0.0003 (2) | −0.0024 (2) | −0.0034 (2) |
Co2 | 0.0169 (3) | 0.0225 (3) | 0.0228 (3) | 0.0014 (2) | 0.0047 (2) | −0.0036 (2) |
Co3 | 0.0163 (2) | 0.0166 (2) | 0.0174 (2) | −0.0003 (1) | 0.0004 (1) | −0.0006 (1) |
Co4 | 0.0203 (2) | 0.0165 (2) | 0.0189 (2) | 0.0004 (2) | 0.0008 (2) | −0.0019 (1) |
O1 | 0.016 (1) | 0.029 (1) | 0.022 (1) | 0.002 (1) | −0.001 (1) | −0.007 (1) |
O2 | 0.016 (1) | 0.041 (1) | 0.042 (1) | 0.000 (1) | 0.003 (1) | −0.015 (1) |
O3 | 0.018 (1) | 0.055 (2) | 0.025 (1) | 0.000 (1) | −0.002 (1) | 0.001 (1) |
O4 | 0.016 (1) | 0.026 (1) | 0.024 (1) | −0.001 (1) | −0.001 (1) | 0.007 (1) |
O5 | 0.030 (1) | 0.025 (1) | 0.039 (1) | −0.001 (1) | −0.013 (1) | −0.003 (1) |
O6 | 0.020 (1) | 0.020 (1) | 0.026 (1) | 0.002 (1) | −0.006 (1) | −0.003 (1) |
O7 | 0.030 (1) | 0.040 (1) | 0.031 (1) | 0.014 (1) | 0.012 (1) | 0.006 (1) |
O8 | 0.021 (1) | 0.020 (1) | 0.025 (1) | 0.003 (1) | 0.005 (1) | 0.003 (1) |
O9 | 0.019 (1) | 0.020 (1) | 0.028 (1) | 0.000 (1) | 0.006 (1) | −0.003 (1) |
O10 | 0.030 (1) | 0.022 (1) | 0.028 (1) | −0.003 (1) | 0.010 (1) | −0.006 (1) |
O11 | 0.029 (1) | 0.016 (1) | 0.020 (1) | 0.000 (1) | −0.002 (1) | 0.000 (1) |
O12 | 0.043 (1) | 0.021 (1) | 0.024 (1) | −0.005 (1) | −0.005 (1) | 0.003 (1) |
O13 | 0.160 (5) | 0.110 (4) | 0.142 (4) | 0.049 (4) | 0.002 (4) | −0.022 (3) |
N1 | 0.066 (3) | 0.083 (3) | 0.060 (3) | 0.019 (2) | −0.001 (2) | 0.008 (2) |
C1 | 0.021 (2) | 0.027 (2) | 0.026 (2) | 0.000 (1) | −0.005 (1) | −0.007 (1) |
C2 | 0.023 (2) | 0.037 (2) | 0.026 (2) | 0.000 (1) | 0.004 (1) | 0.002 (1) |
C3 | 0.027 (2) | 0.019 (2) | 0.036 (2) | 0.001 (1) | −0.005 (1) | 0.000 (1) |
C4 | 0.030 (2) | 0.028 (2) | 0.027 (2) | 0.010 (1) | 0.003 (1) | 0.007 (1) |
C5 | 0.023 (2) | 0.029 (2) | 0.026 (2) | −0.001 (1) | 0.008 (1) | −0.002 (1) |
C6 | 0.033 (2) | 0.019 (1) | 0.024 (2) | −0.003 (1) | −0.004 (1) | −0.002 (1) |
C7 | 0.102 (9) | 0.113 (9) | 0.087 (8) | 0.031 (7) | −0.028 (6) | −0.024 (6) |
C8 | 0.20 (1) | 0.100 (9) | 0.14 (1) | 0.057 (9) | −0.10 (1) | −0.039 (8) |
C9 | 0.13 (1) | 0.15 (1) | 0.15 (1) | 0.10 (1) | −0.02 (1) | 0.02 (1) |
C7' | 0.20 (2) | 0.10 (1) | 0.08 (1) | 0.07 (1) | −0.057 (12) | −0.032 (9) |
C8' | 0.09 (1) | 0.17 (2) | 0.060 (9) | 0.00 (1) | −0.012 (8) | 0.02 (1) |
C9' | 0.10 (2) | 0.11 (2) | 0.23 (3) | 0.02 (1) | 0.00 (2) | 0.01 (2) |
Geometric parameters (Å, º) top
Co1—O1 | 2.142 (2) | O9—C5 | 1.261 (3) |
Co1—O1i | 2.142 (2) | O10—C5 | 1.235 (3) |
Co1—O3 | 2.086 (2) | O11—C6 | 1.272 (3) |
Co1—O3i | 2.086 (2) | O12—C6 | 1.236 (3) |
Co1—O5 | 2.066 (2) | O13—C7 | 1.295 (8) |
Co1—O5i | 2.066 (2) | O13—C7' | 1.319 (9) |
Co2—O2 | 2.067 (2) | N1—C7 | 1.322 (9) |
Co2—O2ii | 2.067 (2) | N1—C7' | 1.33 (1) |
Co2—O7 | 2.080 (2) | N1—C9 | 1.417 (7) |
Co2—O7ii | 2.080 (2) | N1—C9' | 1.415 (9) |
Co2—O9 | 2.126 (2) | N1—C8 | 1.432 (7) |
Co2—O9ii | 2.126 (2) | N1—C8' | 1.445 (8) |
Co3—O1 | 2.062 (2) | C1—H1 | 0.93 |
Co3—O4 | 2.088 (2) | C2—H2 | 0.93 |
Co3—O6 | 2.109 (2) | C3—H3 | 0.93 |
Co3—O8 | 2.110 (2) | C4—H4 | 0.93 |
Co3—O9 | 2.085 (2) | C5—H5 | 0.93 |
Co3—O11 | 2.126 (2) | C6—H6 | 0.93 |
Co4—O4iii | 2.100 (2) | C7—H7 | 0.93 |
Co4—O6 | 2.111 (2) | C8—H81 | 0.96 |
Co4—O8iii | 2.116 (2) | C8—H82 | 0.96 |
Co4—O10 | 2.055 (2) | C8—H83 | 0.96 |
Co4—O11 | 2.108 (2) | C9—H91 | 0.96 |
Co4—O12iii | 2.050 (2) | C9—H92 | 0.96 |
O1—C1 | 1.273 (3) | C9—H93 | 0.96 |
O2—C1 | 1.223 (3) | C7'—H7' | 0.93 |
O3—C2 | 1.226 (3) | C8'—H81' | 0.96 |
O4—C2 | 1.263 (4) | C8'—H82' | 0.96 |
O5—C3 | 1.231 (3) | C8'—H83' | 0.96 |
O6—C3 | 1.270 (3) | C9'—H91' | 0.96 |
O7—C4 | 1.231 (3) | C9'—H92' | 0.96 |
O8—C4 | 1.266 (3) | C9'—H93' | 0.96 |
O1—Co1—O1i | 180 | C4—O7—Co2 | 135.2 (2) |
O1—Co1—O3 | 94.79 (8) | C4—O8—Co3 | 134.5 (2) |
O1—Co1—O3i | 85.21 (8) | C4—O8—Co4iv | 126.9 (2) |
O1—Co1—O5 | 90.92 (8) | Co3—O8—Co4iv | 98.52 (8) |
O1—Co1—O5i | 89.08 (8) | C5—O9—Co3 | 127.9 (2) |
O3—Co1—O3i | 180 | C5—O9—Co2 | 118.2 (2) |
O3—Co1—O5 | 91.50 (8) | Co3—O9—Co2 | 113.97 (8) |
O3—Co1—O5i | 88.50 (8) | C5—O10—Co4 | 130.9 (2) |
O5—Co1—O5i | 180 | C6—O11—Co4 | 127.5 (2) |
O2—Co2—O2ii | 180 | C6—O11—Co3 | 131.8 (2) |
O2—Co2—O7 | 88.55 (9) | Co4—O11—Co3 | 97.61 (7) |
O2—Co2—O7ii | 91.45 (9) | C6—O12—Co4iv | 128.2 (2) |
O4—Co3—O8 | 77.27 (7) | C7—N1—C9 | 123.8 (6) |
O2—Co2—O9 | 91.90 (8) | C7'—N1—C9' | 122.8 (8) |
O2—Co2—O9ii | 88.10 (8) | C7—N1—C8 | 121.0 (6) |
O7—Co2—O7ii | 180 | C9—N1—C8 | 115.2 (8) |
O7—Co2—O9 | 93.30 (8) | C7'—N1—C8' | 118.9 (7) |
O7—Co2—O9ii | 86.70 (8) | C9'—N1—C8' | 118 (1) |
O9—Co2—O9ii | 180 | O2—C1—O1 | 126.4 (3) |
O1—Co3—O9 | 95.47 (8) | O3—C2—O4 | 126.9 (3) |
O1—Co3—O4 | 89.86 (8) | O5—C3—O6 | 127.1 (3) |
O1—Co3—O6 | 95.48 (7) | O7—C4—O8 | 126.4 (3) |
O1—Co3—O8 | 97.72 (8) | O10—C5—O9 | 127.5 (3) |
O1—Co3—O11 | 172.48 (8) | O12—C6—O11 | 126.3 (3) |
O4—Co3—O6 | 94.26 (7) | O13—C7—N1 | 118.9 (6) |
O4—Co3—O8 | 77.27 (7) | O13—C7'—N1 | 116.3 (7) |
O4—Co3—O9 | 170.46 (8) | O2—C1—H1 | 116.8 |
O4—Co3—O11 | 87.18 (7) | O1—C1—H1 | 116.8 |
O6—Co3—O8 | 164.27 (7) | O3—C2—H2 | 116.6 |
O6—Co3—O9 | 93.09 (7) | O4—C2—H2 | 116.6 |
O6—Co3—O11 | 77.87 (7) | O5—C3—H3 | 116.4 |
O8—Co3—O9 | 94.14 (8) | O6—C3—H3 | 116.4 |
O8—Co3—O11 | 88.38 (7) | O7—C4—H4 | 116.8 |
O9—Co3—O11 | 88.44 (7) | O8—C4—H4 | 116.8 |
O4iii—Co4—O6 | 172.79 (7) | O10—C5—H5 | 116.3 |
O4iii—Co4—O8iii | 76.90 (7) | O9—C5—H5 | 116.3 |
O4iii—Co4—O10 | 89.55 (8) | O12—C6—H6 | 116.8 |
O4iii—Co4—O11 | 94.57 (7) | O11—C6—H6 | 116.8 |
O4iii—Co4—O12iii | 94.19 (8) | O13—C7—H7 | 120.6 |
O6—Co4—O8iii | 102.80 (8) | N1—C7—H7 | 120.6 |
O6—Co4—O10 | 90.40 (8) | N1—C8—H81 | 109.5 |
O6—Co4—O11 | 78.22 (7) | N1—C8—H82 | 109.5 |
O6—Co4—O12iii | 93.02 (8) | N1—C8—H83 | 109.5 |
O8iii—Co4—O10 | 166.32 (8) | N1—C9—H91 | 109.5 |
O8iii—Co4—O11 | 88.96 (7) | N1—C9—H92 | 109.5 |
O8iii—Co4—O12iii | 90.07 (8) | N1—C9—H93 | 109.5 |
O10—Co4—O11 | 90.26 (8) | O13—C7'—H7' | 121.9 |
O10—Co4—O12iii | 92.84 (9) | N1—C7'—H7' | 121.9 |
O11—Co4—O12iii | 170.73 (8) | N1—C8'—H81' | 109.5 |
C1—O1—Co3 | 127.4 (2) | N1—C8'—H82' | 109.5 |
C1—O1—Co1 | 117.6 (2) | H81'—C8'—H82' | 109.5 |
Co3—O1—Co1 | 114.94 (9) | N1—C8'—H83' | 109.5 |
C1—O2—Co2 | 141.1 (2) | H81'—C8'—H83' | 109.5 |
C2—O3—Co1 | 133.3 (2) | H82'—C8'—H83' | 109.5 |
C2—O4—Co3 | 132.1 (2) | N1—C9'—H91' | 109.5 |
C2—O4—Co4iv | 127.0 (2) | N1—C9'—H92' | 109.5 |
Co3—O4—Co4iv | 99.70 (8) | H91'—C9'—H92' | 109.5 |
C3—O5—Co1 | 133.9 (2) | N1—C9'—H93' | 109.5 |
C3—O6—Co3 | 132.6 (2) | H91'—C9'—H93' | 109.5 |
C3—O6—Co4 | 127.8 (2) | H92'—C9'—H93' | 109.5 |
Co3—O6—Co4 | 98.07 (8) | ||
O9—Co3—O1—C1 | −41.9 (2) | O9—Co3—O8—Co4iv | −155.04 (8) |
O4—Co3—O1—C1 | 130.2 (2) | O4—Co3—O8—Co4iv | 20.75 (8) |
O6—Co3—O1—C1 | −135.5 (2) | O6—Co3—O8—Co4iv | −37.9 (3) |
O8—Co3—O1—C1 | 53.0 (2) | O11—Co3—O8—Co4iv | −66.72 (8) |
O9—Co3—O1—Co1 | 134.6 (1) | O1—Co3—O9—C5 | −129.1 (2) |
O4—Co3—O1—Co1 | −53.3 (1) | O6—Co3—O9—C5 | −33.3 (2) |
O6—Co3—O1—Co1 | 41.0 (1) | O8—Co3—O9—C5 | 132.7 (2) |
O8—Co3—O1—Co1 | −130.42 (9) | O11—Co3—O9—C5 | 44.4 (2) |
O5—Co1—O1—C1 | 125.0 (2) | O1—Co3—O9—Co2 | 51.9 (1) |
O5i—Co1—O1—C1 | −55.0 (2) | O6—Co3—O9—Co2 | 147.73 (9) |
O3—Co1—O1—C1 | −143.4 (2) | O8—Co3—O9—Co2 | −46.3 (1) |
O3i—Co1—O1—C1 | 36.6 (2) | O11—Co3—O9—Co2 | −134.5 (1) |
O5—Co1—O1—Co3 | −51.9 (1) | O2—Co2—O9—C5 | 141.4 (2) |
O5i—Co1—O1—Co3 | 128.1 (1) | O2ii—Co2—O9—C5 | −38.6 (2) |
O3—Co1—O1—Co3 | 39.7 (1) | O7—Co2—O9—C5 | −129.9 (2) |
O3i—Co1—O1—Co3 | −140.3 (1) | O7ii—Co2—O9—C5 | 50.1 (2) |
O7—Co2—O2—C1 | −85.9 (4) | O2—Co2—O9—Co3 | −39.6 (1) |
O7ii—Co2—O2—C1 | 94.1 (4) | O2ii—Co2—O9—Co3 | 140.5 (1) |
O9—Co2—O2—C1 | 7.4 (4) | O7—Co2—O9—Co3 | 49.1 (1) |
O9ii—Co2—O2—C1 | −172.6 (4) | O7ii—Co2—O9—Co3 | −130.9 (1) |
O5—Co1—O3—C2 | 92.7 (3) | O12iii—Co4—O10—C5 | 136.7 (3) |
O5i—Co1—O3—C2 | −87.3 (3) | O4iii—Co4—O10—C5 | −129.2 (3) |
O1i—Co1—O3—C2 | −178.4 (3) | O11—Co4—O10—C5 | −34.6 (3) |
O1—Co1—O3—C2 | 1.6 (3) | O6—Co4—O10—C5 | 43.6 (3) |
O1—Co3—O4—C2 | 49.1 (3) | O8iii—Co4—O10—C5 | −121.3 (3) |
O6—Co3—O4—C2 | −46.3 (3) | O10—Co4—O11—C6 | −129.5 (2) |
O8—Co3—O4—C2 | 147.1 (3) | O4iii—Co4—O11—C6 | −39.9 (2) |
O11—Co3—O4—C2 | −123.9 (3) | O6—Co4—O11—C6 | 140.2 (2) |
O1—Co3—O4—Co4iv | −118.93 (8) | O8iii—Co4—O11—C6 | 36.9 (2) |
O6—Co3—O4—Co4iv | 145.59 (8) | O10—Co4—O11—Co3 | 68.82 (8) |
O8—Co3—O4—Co4iv | −20.99 (8) | O4iii—Co4—O11—Co3 | 158.39 (8) |
O11—Co3—O4—Co4iv | 67.98 (8) | O6—Co4—O11—Co3 | −21.53 (8) |
O3—Co1—O5—C3 | −52.7 (3) | O8iii—Co4—O11—Co3 | −124.84 (8) |
O3i—Co1—O5—C3 | 127.3 (3) | O9—Co3—O11—C6 | 127.6 (3) |
O1i—Co1—O5—C3 | −137.9 (3) | O4—Co3—O11—C6 | −43.9 (3) |
O1—Co1—O5—C3 | 42.1 (3) | O6—Co3—O11—C6 | −138.9 (3) |
O1—Co3—O6—C3 | −4.6 (3) | O8—Co3—O11—C6 | 33.4 (3) |
O9—Co3—O6—C3 | −100.4 (3) | O9—Co3—O11—Co4 | −71.92 (8) |
O4—Co3—O6—C3 | 85.7 (3) | O4—Co3—O11—Co4 | 116.55 (8) |
O8—Co3—O6—C3 | 142.3 (3) | O6—Co3—O11—Co4 | 21.58 (8) |
O11—Co3—O6—C3 | 171.9 (3) | O8—Co3—O11—Co4 | −166.11 (8) |
O1—Co3—O6—Co4 | 161.96 (8) | Co2—O2—C1—O1 | 8.4 (6) |
O9—Co3—O6—Co4 | 66.16 (8) | Co3—O1—C1—O2 | 13.6 (5) |
O4—Co3—O6—Co4 | −107.77 (8) | Co1—O1—C1—O2 | −162.9 (3) |
O8—Co3—O6—Co4 | −51.1 (3) | Co1—O3—C2—O4 | −17.1 (5) |
O11—Co3—O6—Co4 | −21.58 (7) | Co3—O4—C2—O3 | −15.3 (5) |
O12iii—Co4—O6—C3 | 6.2 (2) | Co4iv—O4—C2—O3 | 149.9 (3) |
O10—Co4—O6—C3 | 99.0 (2) | Co1—O5—C3—O6 | −10.4 (5) |
O11—Co4—O6—C3 | −170.8 (2) | Co3—O6—C3—O5 | −14.7 (5) |
O8iii—Co4—O6—C3 | −84.6 (2) | Co4—O6—C3—O5 | −177.7 (2) |
O12iii—Co4—O6—Co3 | −161.31 (8) | Co2—O7—C4—O8 | 5.4 (5) |
O10—Co4—O6—Co3 | −68.45 (8) | Co3—O8—C4—O7 | 0.8 (5) |
O11—Co4—O6—Co3 | 21.74 (7) | Co4iv—O8—C4—O7 | 176.8 (2) |
O8iii—Co4—O6—Co3 | 107.93 (8) | Co4—O10—C5—O9 | −3.2 (5) |
O2—Co2—O7—C4 | 61.1 (3) | Co3—O9—C5—O10 | −3.2 (5) |
O2ii—Co2—O7—C4 | −118.9 (3) | Co2—O9—C5—O10 | 175.7 (2) |
O9—Co2—O7—C4 | −30.7 (3) | Co4iv—O12—C6—O11 | 5.3 (5) |
O9ii—Co2—O7—C4 | 149.3 (3) | Co4—O11—C6—O12 | −152.7 (2) |
O1—Co3—O8—C4 | −74.4 (3) | Co3—O11—C6—O12 | 2.6 (5) |
O9—Co3—O8—C4 | 21.7 (3) | C9—N1—C7—O13 | 179.9 (3) |
O4—Co3—O8—C4 | −162.5 (3) | C8—N1—C7—O13 | 0.8 (3) |
O6—Co3—O8—C4 | 138.8 (3) | C9'—N1—C7'—O13 | 179.8 (4) |
O11—Co3—O8—C4 | 110.0 (3) | C8'—N1—C7'—O13 | 0.8 (7) |
O1—Co3—O8—Co4iv | 108.85 (8) |
Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) −x, −y+1, −z+1; (iii) −x+1/2, y−1/2, −z+1/2; (iv) −x+1/2, y+1/2, −z+1/2. |
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