Information card for entry 1518356

Structure parameters

• Formula: C2 H13 Co N4 O9
• Calculated formula: C2 H13 Co N4 O9
• SMILES: [Co]1([NH3])([NH3])([NH3])(OC(=O)C(=O)O1)[OH2].O.N(=O)(=O)[O-]
• Title of publication: Crystallization and Structure Determination of Fac-Triammin-Aquo-Oxalato-Cobalt (III)-Nitrate Monohydrate
• Authors of publication: Hrib, Cristian; Blaurock, Steffen; Edelmann, Frank
• Journal of publication: Crystals
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 4
• Pages of publication: 490
• a: 7.8532 ± 0.0016 Å
• b: 10 ± 0.002 Å
• c: 13.192 ± 0.003 Å
• α: 90°
• β: 105.06 ± 0.03°
• γ: 90°
• Cell volume: 1000.4 ± 0.4 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 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: 0.0793
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No