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Information card for entry 8102876
Preview
| Coordinates | 8102876.cif |
|---|---|
| External links | PubChem |
| Chemical name | tetra-aqua-bis(dimethylformamide)-nickel(II) tetrachloroterephthalate, [Ni(C~3~H~7~NO)~2~(H~2~O)~4~](C~8~Cl~4~O~4~) |
|---|---|
| Formula | C14 H22 Cl4 N2 Ni O10 |
| Calculated formula | C14 H22 Cl4 N2 Ni O10 |
| Title of publication | Crystal structure of tetraaquabis(dimethylformamide)nickel(II) tetrachloroterephthalate, [Ni(H2O)4(C3H7NO)2](C8Cl4O4) |
| Authors of publication | Jiang-Quan Ma; Shou-Yong Xu |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2010 |
| Journal volume | 225 |
| Journal issue | 4 |
| Pages of publication | 791 |
| a | 5.736 ± 0.003 Å |
| b | 8.536 ± 0.004 Å |
| c | 12.027 ± 0.006 Å |
| α | 95.874 ± 0.005° |
| β | 101.998 ± 0.005° |
| γ | 99.006 ± 0.005° |
| Cell volume | 563.3 ± 0.5 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 | 0.0446 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.1335 |
| Weighted residual factors for all reflections included in the refinement | 0.1489 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8102876.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102876.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102876.cif |
| 13615 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102876 via cif-deposit CGI script. |
8102876.cif |
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