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Information card for entry 2242200
Preview
| Coordinates | 2242200.cif |
|---|---|
| Structure factors | 2242200.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis[4'-(furan-2-yl)-2,2':6',2''-terpyridine]nickel(II) dichloride decahydrate |
|---|---|
| Formula | C38 H46 Cl2 N6 Ni O12 |
| Calculated formula | C38 H46 Cl2 N6 Ni O12 |
| Title of publication | An infinite two-dimensional hybrid water–chloride network in a 4'-(furan-2-yl)-2,2':6',2''-terpyridine nickel(II) matrix |
| Authors of publication | Fu, Wei-Wei; Li, Ya-Qian; Liu, Yang; Chen, Man-Sheng; Li, Wei; Yang, Ying-Qun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 6 |
| Pages of publication | 871 - 875 |
| a | 10.351 ± 0.007 Å |
| b | 11.894 ± 0.008 Å |
| c | 19.07 ± 0.013 Å |
| α | 76.33 ± 0.01° |
| β | 88.582 ± 0.012° |
| γ | 67.077 ± 0.011° |
| Cell volume | 2095 ± 2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0714 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.1314 |
| Weighted residual factors for all reflections included in the refinement | 0.1439 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2242200.cif 2242200.hkl |
| 199168 | 2017-07-25 | cif/ hkl/ Adding structures of 2242200 via cif-deposit CGI script. |
2242200.cif 2242200.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.