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Information card for entry 2205070
Preview
Coordinates | 2205070.cif |
---|---|
Structure factors | 2205070.hkl |
Original IUCr paper | HTML |
Chemical name | catena-Poly[[[bis(μ-4-cyanobenzoato-κ^2^O:O)bis[(4-cyanobenzoato- κ^2^O,O')cobalt(II)]]-di-μ-4,4'-bipyridine-κ^4^N:N'] dihydrate dimethylformamide tetrasolvate] |
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Formula | C64 H64 Co2 N12 O14 |
Calculated formula | C64 H64 Co2 N12 O14 |
SMILES | [Co]123([O]=C(O1)c1ccc(cc1)C#N)([n]1ccc(cc1)c1ccncc1)[O]=C(c1ccc(cc1)C#N)O[Co]1([O]=C(O2)c2ccc(cc2)C#N)([O]=C(O1)c1ccc(cc1)C#N)([n]1ccc(cc1)c1cc[n](cc1)[Co]12([O]=C(O1)c1ccc(cc1)C#N)[O]=C(c1ccc(cc1)C#N)O[Co]1([O]=C(O2)c2ccc(cc2)C#N)(OC(=[O]1)c1ccc(cc1)C#N)[n]1ccc(c2cc[n]3cc2)cc1)[n]1ccc(cc1)c1ccncc1.O=CN(C)C.O=CN(C)C.O.O=CN(C)C.O=CN(C)C.O.O=CN(C)C.O=CN(C)C.O.O=CN(C)C.O=CN(C)C.O |
Title of publication | <i>catena</i>-Poly[[[bis(μ-4-cyanobenzoato-κ^2^<i>O</i>:<i>O</i>)bis[(4-cyanobenzoato-κ^2^<i>O,O</i>')cobalt(II)]]-di-μ-4,4'-bipyridine-κ^4^<i>N</i>:<i>N</i>'] dihydrate dimethylformamide tetrasolvate] |
Authors of publication | He, Hong-Yin; Zhu, Long-Guan; Ng, Seik Weng |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2005 |
Journal volume | 61 |
Journal issue | 2 |
Pages of publication | m311 - m313 |
a | 17.6227 ± 0.0009 Å |
b | 11.3661 ± 0.0005 Å |
c | 17.1939 ± 0.0007 Å |
α | 90° |
β | 110.011 ± 0.002° |
γ | 90° |
Cell volume | 3236 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.083 |
Residual factor for significantly intense reflections | 0.065 |
Weighted residual factors for significantly intense reflections | 0.175 |
Weighted residual factors for all reflections included in the refinement | 0.188 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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The link is: https://www.crystallography.net/2205070.html
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