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Information card for entry 4505905
Preview
Coordinates | 4505905.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [tris(2,2'-bipyridine-4,4'-diamine)nickel(II)] diphenyl-4,4'-dicarboxylate dimethylformamide clathrate |
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Formula | C50 H52 N14 Ni O6 |
Calculated formula | C50 H52 N14 Ni O6 |
SMILES | [Ni]123([n]4ccc(N)cc4c4[n]1ccc(N)c4)([n]1ccc(N)cc1c1[n]2ccc(N)c1)[n]1ccc(N)cc1c1[n]3ccc(N)c1.O=C([O-])c1ccc(c2ccc(C(=O)[O-])cc2)cc1.O=CN(C)C.O=CN(C)C |
Title of publication | Metal Complexes of 2,2′-Bipyridine-4,4′-diamine as Metallo-Tectons for Hydrogen Bonded Networks |
Authors of publication | Rigby, Nicola; Jacobs, Tia; Reddy, Jayarama Prakasha; Hardie, Michaele J. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2012 |
Journal volume | 12 |
Journal issue | 4 |
Pages of publication | 1871 |
a | 23.127 ± 0.003 Å |
b | 12.6717 ± 0.0018 Å |
c | 23.131 ± 0.003 Å |
α | 90° |
β | 105.523 ± 0.005° |
γ | 90° |
Cell volume | 6531.5 ± 1.5 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.1515 |
Residual factor for significantly intense reflections | 0.0963 |
Weighted residual factors for significantly intense reflections | 0.218 |
Weighted residual factors for all reflections included in the refinement | 0.2369 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.297 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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