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Information card for entry 8103092
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| Coordinates | 8103092.cif |
|---|
| Formula | C17 H25 Cr N3 O17 |
|---|---|
| Calculated formula | C17 H24 Cr N3 O17 |
| SMILES | [Cr]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O=CN(C)C.O=C([O-])c1nc(cc(O)c1)C(=O)[O-].O=C([O-])c1nc(cc([O-])c1)C(=O)[O-] |
| Title of publication | Crystal structure of hexaaquachromium(III) dimethylformamidium bis(4-hydroxypyridine-2,6-dicarboxylate), [Cr(H2O)6][C3H8NO][C7H3NO5]2 |
| Authors of publication | Qiu-Ju Xing; Shun-Chen Dai; Mei-Hong Chen; Jun Ma; Lu-Ping Zhang; Jian-Ping Zou |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2011 |
| Journal volume | 226 |
| Journal issue | 1 |
| Pages of publication | 67 |
| a | 17.7554 ± 0.0008 Å |
| b | 7.5999 ± 0.0004 Å |
| c | 22.1542 ± 0.0008 Å |
| α | 90° |
| β | 124.248 ± 0.003° |
| γ | 90° |
| Cell volume | 2471.1 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.052 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.1402 |
| Weighted residual factors for all reflections included in the refinement | 0.1522 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211175 (current) | 2018-09-26 | cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8. |
8103092.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
8103092.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8103092.cif |
| 29012 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 8103092 via cif-deposit CGI script. |
8103092.cif |
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Users of the data should acknowledge the original authors of the
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