Information card for entry 7023661

Structure parameters

• Formula: C4 H10 Bi Br4 N O
• Calculated formula: C4 H10 Bi Br4 N O
• Title of publication: Investigation of structure-properties relationship in a novel family of halogenoantimonates(iii) and halogenobismuthates(iii) with morpholinium cation: [NH2(C2H4)2O]MX4. Crystal structure, phase transitions and dynamics of molecules.
• Authors of publication: Owczarek, Magdalena; Jakubas, Ryszard; Pietraszko, Adam; Medycki, Wojciech; Baran, Jan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 42
• Pages of publication: 15069 - 15079
• a: 12.666 ± 0.003 Å
• b: 12.675 ± 0.003 Å
• c: 8.087 ± 0.0016 Å
• α: 90°
• β: 108.33 ± 0.03°
• γ: 90°
• Cell volume: 1232.4 ± 0.5 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 6
• 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: 0.0593
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections included in the refinement: 0.0426
• Goodness-of-fit parameter for all reflections included in the refinement: 0.819
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No