Information card for entry 7047406

Structure parameters

• Formula: C12 H31 Bi Cl6 N2 O
• Calculated formula: C12 H31 Bi Cl6 N2 O
• Title of publication: Investigations of organic-inorganic hybrids based on homopiperidinium cation with haloantimonates(iii) and halobismuthates(iii). Crystal structures, reversible phase transitions, semiconducting and molecular dynamic properties.
• Authors of publication: Moskwa, Marcin; Bator, Grażyna; Rok, Magdalena; Medycki, Wojciech; Miniewicz, Andrzej; Jakubas, Ryszard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 38
• Pages of publication: 13507 - 13522
• a: 18.338 ± 0.002 Å
• b: 7.905 ± 0.002 Å
• c: 7.933 ± 0.004 Å
• α: 90°
• β: 91.32 ± 0.03°
• γ: 90°
• Cell volume: 1149.7 ± 0.7 ų
• Cell temperature: 260 ± 2 K
• Ambient diffraction temperature: 260 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No