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Information card for entry 4321857
Preview
| Coordinates | 4321857.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C54 H68 N8 Ni O5 |
|---|---|
| Calculated formula | C54 H68 N8 Ni O5 |
| Title of publication | Bivalent, Trivalent, and Tetravalent Nickel Complexes with a Common Tridentate Deprotonated Pyridine Bis-Amide Ligand. Molecular Structures of Nickel(II) and Nickel(IV) and Redox Activity |
| Authors of publication | Apurba Kumar Patra; Rabindranath Mukherjee |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 1999 |
| Journal volume | 38 |
| Pages of publication | 1388 - 1393 |
| a | 10.175 ± 0.002 Å |
| b | 20.834 ± 0.003 Å |
| c | 23.765 ± 0.004 Å |
| α | 90 ± 0.01° |
| β | 90 ± 0.02° |
| γ | 90 ± 0.02° |
| Cell volume | 5037.8 ± 1.5 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.212 |
| Residual factor for significantly intense reflections | 0.069 |
| Weighted residual factors for all reflections | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.044 |
| Goodness-of-fit parameter for all reflections | 1.407 |
| Goodness-of-fit parameter for significantly intense reflections | 1.99 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoK-alpha |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4321857.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4321857.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4321857.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4321857.cif |
| 19699 | 2011-05-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4321857 via cif-deposit CGI script. |
4321857.cif |
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Users of the data should acknowledge the original authors of the
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