Information card for entry 4315305

Structure parameters

• Common name: Diammonium dicobalt(II)aquo mellitate
• Formula: C12 H12 Co2 N2 O14
• Calculated formula: C12 H12 Co2 N2 O14
• Title of publication: Mixed Alkali Metal/Transition Metal Coordination Polymers with the Mellitic Acid Hexaanion: 2-Dimensional Hexagonal Magnetic Nets
• Authors of publication: Simon M. Humphrey; Richard A. Mole; Richard I. Thompson; Paul T. Wood
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 3441 - 3448
• a: 8.4267 ± 0.0002 Å
• b: 10.9735 ± 0.0004 Å
• c: 9.0131 ± 0.0003 Å
• α: 90°
• β: 116.383 ± 0.002°
• γ: 90°
• Cell volume: 746.64 ± 0.04 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0404
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No