Information card for entry 1550371

Structure parameters

• Formula: C4 H9 Co N O6
• Calculated formula: C4 H9 Co N O6
• Title of publication: Incommensurate structures of the [CH~3~NH~3~][Co(COOH)~3~] compound
• Authors of publication: Canadillas-Delgado, Laura; Mazzuca, Lidia; Fabelo, Oscar; Rodriguez-Velamazan, J. Alberto; Rodriguez-Carvajal, Juan
• Journal of publication: IUCrJ
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 105 - 115
• a: 8.2556 ± 0.0002 Å
• b: 11.6519 ± 0.0003 Å
• c: 8.1508 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 784.05 ± 0.04 ų
• Cell temperature: 106 K
• Ambient diffraction temperature: 106 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1012
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for significantly intense reflections: 5.91
• Goodness-of-fit parameter for all reflections included in the refinement: 4.79
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.4569 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No