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Information card for entry 4304422
Preview
| Coordinates | 4304422.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C58 H70 N4 Ni2 O12 V2 |
|---|---|
| Calculated formula | C58 H70 N4 Ni2 O12 V2 |
| SMILES | c12c(cc(cc1C)C)C[N]1([Ni]3456[N](CC1)(Cc1c([O]4[V]4([O]23)([O]=C(O[Ni]237([O]8[V]([O]7c7c(cc(cc7C)C)C[N]2(C)CC[N]3(C)Cc2c8c(cc(c2)C)C)([O]=C(O5)c2ccccc2)(O6)=O)O4)c2ccccc2)=O)c(cc(c1)C)C)C)C |
| Title of publication | Tetra- and Dinuclear Nickel(II)-Vanadium(IV/V) Heterometal Complexes of a Phenol-Based N2O2 Ligand: Synthesis, Structures, and Magnetic and Redox Properties |
| Authors of publication | Debdas Mandal; Pabitra Baran Chatterjee; Rakesh Ganguly; Edward R. T. Tiekink; Rodolphe Clérac; Muktimoy Chaudhury |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Pages of publication | 584 - 591 |
| a | 13.3548 ± 0.0006 Å |
| b | 17.9752 ± 0.0007 Å |
| c | 23.1855 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5565.8 ± 0.4 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.095 |
| Residual factor for significantly intense reflections | 0.069 |
| Weighted residual factors for significantly intense reflections | 0.149 |
| Weighted residual factors for all reflections included in the refinement | 0.162 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.24 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4304422.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4304422.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4304422.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4304422.cif |
| 1163 | 2010-05-11 | cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition. | 4304422.cif |
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