Information card for entry 7219292

Structure parameters

• Formula: C48 H104 Br5 Cl11 Co4 N8
• Calculated formula: C48 H104 Br5 Cl11 Co4 N8
• Title of publication: Novel pure Pnma-P212121 ferroelastic phase transition of 1,4-diisopropyl-1,4-diazonia-bicyclo[2.2.2]octane tetra-chlorobromo-M(II) (M=Mn and Co)
• Authors of publication: chen, lizhuang; Huang, Deng-Deng; Pan, Qi-Jian; Ge, Jia-Zhen
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 10.0792 ± 0.0007 Å
• b: 13.0655 ± 0.0009 Å
• c: 13.5796 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1788.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No