Information card for entry 7708070

Structure parameters

• Formula: C16 H26 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: 14.264 ± 0.019 Å
• b: 8.874 ± 0.012 Å
• c: 19.71 ± 0.03 Å
• α: 90°
• β: 109.673 ± 0.018°
• γ: 90°
• Cell volume: 2349 ± 6 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• 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: 0.0608
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No