Information card for entry 7708071

Structure parameters

• Formula: C16 H24 Br5 In N2 O
• Calculated formula: C16 H26 Br5 In N2 O
• Title of publication: Two In-based organic‒inorganic hybrid compounds with reversible phase transition derived from the order‒disorder changes of cations or anions
• Authors of publication: Zhang, Yin-Qiang; Xu, Guan-Cheng; Li, Min
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 10.912 ± 0.008 Å
• b: 8.556 ± 0.007 Å
• c: 14.164 ± 0.011 Å
• α: 90°
• β: 110.91 ± 0.014°
• γ: 90°
• Cell volume: 1235.3 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1548
• Residual factor for significantly intense reflections: 0.0921
• Weighted residual factors for significantly intense reflections: 0.2229
• Weighted residual factors for all reflections included in the refinement: 0.2602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No