Information card for entry 7047403

Structure parameters

• Formula: C12 H28 Bi Br5 N2
• Calculated formula: C12 H28 Bi Br5 N2
• 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: 13.205 ± 0.004 Å
• b: 8.005 ± 0.003 Å
• c: 20.946 ± 0.006 Å
• α: 90°
• β: 91.28 ± 0.03°
• γ: 90°
• Cell volume: 2213.6 ± 1.2 ų
• Cell temperature: 280 ± 2 K
• Ambient diffraction temperature: 280 ± 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: 0.0596
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No