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Information card for entry 7053763
Preview
| Coordinates | 7053763.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C4 H27 N Ni O17 P2 |
|---|---|
| Calculated formula | C4 H27 N Ni O17 P2 |
| SMILES | [Ni]123(OP(=O)([O-])C[N]3(CP(=O)(O1)[O-])CC(=O)O2)([OH2])[OH2].O.O.[OH3+].O.[OH3+].[OH3+].O |
| Title of publication | Solvothermal syntheses, characterizations and properties of three transition metal (Ni(ii), Co(ii)) imino-carboxylate-diphosphonates |
| Authors of publication | Ma, Kuirong; Xu, Jianing; Zhang, Lirong; Shi, Jing; Zhang, Daojun; Zhu, Yulan; Fan, Yong; Song, Tianyong |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2009 |
| Journal volume | 33 |
| Journal issue | 4 |
| Pages of publication | 886 |
| a | 11.568 ± 0.002 Å |
| b | 10.689 ± 0.002 Å |
| c | 15.816 ± 0.003 Å |
| α | 90° |
| β | 109.17 ± 0.03° |
| γ | 90° |
| Cell volume | 1847.2 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0444 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.0925 |
| Weighted residual factors for all reflections included in the refinement | 0.0959 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7053763.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7053763.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
7053763.cif |
| 96612 | 2014-01-29 | cif/ Adding structures of 7053762, 7053763, 7053764 via cif-deposit CGI script. |
7053763.cif |
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Users of the data should acknowledge the original authors of the
structural data.