Information card for entry 7110977

Structure parameters

• Formula: C48 H114 Fe2 N30 Ni3 O12
• Calculated formula: C48 H88 Fe2 N30 Ni3 O12
• Title of publication: A cyano-bridged molecular magnet with a novel two-dimensional brick wall structure
• Authors of publication: Kou, Hui-Zhong; Gao, Song; Ma, Bao-Qing; Liao, Dai-Zheng
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 14
• Pages of publication: 1309
• a: 10.018 ± 0.002 Å
• b: 13.861 ± 0.003 Å
• c: 15.162 ± 0.003 Å
• α: 102.06 ± 0.03°
• β: 101.24 ± 0.03°
• γ: 92.67 ± 0.03°
• Cell volume: 2011 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2819
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.1742
• Weighted residual factors for all reflections included in the refinement: 0.2489
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No