Information card for entry 7045971

Structure parameters

• Formula: C8 H22 Br6 Co N2
• Calculated formula: C8 H22 Br6 Co N2
• Title of publication: High-temperature reversible phase transitions and exceptional dielectric anomalies in cobalt(ii) based ionic crystals: [Me₃NCH₂X]₂[CoX₄] (X = Cl and Br).
• Authors of publication: Hua, Xiu-Ni; Huang, Chao-Ran; Gao, Ji-Xing; Lu, Yang; Chen, Xiao-Gang; Liao, Wei-Qiang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 17
• Pages of publication: 6218 - 6224
• a: 9.4935 ± 0.0008 Å
• b: 17.3888 ± 0.0013 Å
• c: 12.4983 ± 0.0008 Å
• α: 90°
• β: 93.438 ± 0.007°
• γ: 90°
• Cell volume: 2059.5 ± 0.3 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: 0.1615
• Residual factor for significantly intense reflections: 0.1135
• Weighted residual factors for significantly intense reflections: 0.2783
• Weighted residual factors for all reflections included in the refinement: 0.3115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No