Information card for entry 7708069

Structure parameters

• Formula: C12 H28 Cl4 In N
• Calculated formula: C12 H28 Cl4 In N
• 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: 14.299 ± 0.004 Å
• b: 16.58 ± 0.005 Å
• c: 17.771 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4213 ± 2 ų
• Cell temperature: 380 K
• Ambient diffraction temperature: 380 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2182
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.197
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No