Information card for entry 8103092

Structure parameters

• 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 ų
• 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