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Information card for entry 4505940
Preview
Coordinates | 4505940.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H78 N22 Ni2 O20 |
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Calculated formula | C48 H78 N22 Ni2 O20 |
SMILES | [Ni]12([n]3n(ccc3)C(n3[n]1ccc3)c1cc[n]([Ni]3([n]4n(ccc4)C(n4[n]3ccc4)c3cc[n]2cc3)([O]=CN(C)C)([O]=CN(C)C)[O]=CN(C)C)cc1)([O]=CN(C)C)([O]=CN(C)C)[O]=CN(C)C.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(C=O)(C)C.N(C=O)(C)C |
Title of publication | Polynuclear Complexes Containing Ditopic Bispyrazolylmethane Ligands. Influence of Metal Geometry and Supramolecular Interactions |
Authors of publication | Carrión, M. Carmen; Durá, Gema; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2012 |
Journal volume | 12 |
Journal issue | 4 |
Pages of publication | 1952 |
a | 21.9957 ± 0.0013 Å |
b | 12.939 ± 0.0006 Å |
c | 25.1838 ± 0.0015 Å |
α | 90° |
β | 113.445 ± 0.003° |
γ | 90° |
Cell volume | 6575.6 ± 0.6 Å3 |
Cell temperature | 230 ± 2 K |
Ambient diffraction temperature | 230 ± 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 | 0.1611 |
Residual factor for significantly intense reflections | 0.0664 |
Weighted residual factors for significantly intense reflections | 0.1556 |
Weighted residual factors for all reflections included in the refinement | 0.2037 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.932 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4505940.html
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Users of the data should acknowledge the original authors of the
structural data.