Information card for entry 7230223

Structure parameters

• Formula: C6 H14 Bi2 Cl8 N4 O2
• Calculated formula: C6 H14 Bi2 Cl8 N4 O2
• Title of publication: Ferroelasticity and piezoelectricity of organic‒inorganic hybrid materials with a one-dimensional anionic structure: so similar, yet so different
• Authors of publication: Piecha-Bisiorek, Anna; Mencel, Klaudia; Kinzhybalo, Vasyl; Szota, Aleksandra; Jakubas, Ryszard; Medycki, Wojciech; Zawrocki, Wiktor
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 15
• Pages of publication: 2112
• a: 7.31 ± 0.003 Å
• b: 11.315 ± 0.004 Å
• c: 13.857 ± 0.005 Å
• α: 71.67 ± 0.03°
• β: 89.38 ± 0.03°
• γ: 77.11 ± 0.03°
• Cell volume: 1058.4 ± 0.7 ų
• Cell temperature: 240.01 ± 0.1 K
• Ambient diffraction temperature: 240.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No