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Information card for entry 7225192
Preview
| Coordinates | 7225192.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H36 N8 Ni2 O20 |
|---|---|
| Calculated formula | C40 H36 N8 Ni2 O20 |
| SMILES | c12ccc(c3c1C1c4c(C3=O)c(N(=O)=O)ccc4O[Ni]34(Oc5ccc(c6c5C5c7c(C6=O)c(N(=O)=O)ccc7O[Ni](O2)([O]=CN(C)C)([O]=13)([O]4=5)[O]=CN(C)C)N(=O)=O)([O]=CN(C)C)[O]=CN(C)C)N(=O)=O |
| Title of publication | Transition metal coordination complexes of chrysazin |
| Authors of publication | Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K. |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 27 |
| Pages of publication | 5121 |
| a | 9.578 ± 0.0007 Å |
| b | 11.0933 ± 0.0008 Å |
| c | 20.1508 ± 0.0014 Å |
| α | 90° |
| β | 99.517 ± 0.006° |
| γ | 90° |
| Cell volume | 2111.6 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| 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 | 0.1422 |
| Residual factor for significantly intense reflections | 0.0765 |
| Weighted residual factors for significantly intense reflections | 0.1479 |
| Weighted residual factors for all reflections included in the refinement | 0.1696 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.135 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7225192.cif |
| 185227 | 2016-08-07 | cif/ Updating files of 7225182, 7225183, 7225184, 7225185, 7225186, 7225187, 7225188, 7225189, 7225190, 7225191, 7225192 Original log message: Adding full bibliography for 7225182--7225192.cif. |
7225192.cif |
| 182887 | 2016-05-12 | cif/ Adding structures of 7225182, 7225183, 7225184, 7225185, 7225186, 7225187, 7225188, 7225189, 7225190, 7225191, 7225192 via cif-deposit CGI script. |
7225192.cif |
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Users of the data should acknowledge the original authors of the
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