Information card for entry 7060984

Structure parameters

• Formula: C6 H24 Br6 In N3
• Calculated formula: C6 H24 Br6 In N3
• SMILES: [In](Br)([Br-])([Br-])([Br-])(Br)Br.[NH3+]CC.[NH3+]CC.[NH3+]CC
• Title of publication: (C2H5NH3)3[InBr6]: an indium(III) organic-inorganic hybrid phase transition compound exhibiting switchable dielectric response
• Authors of publication: Zhang, Yin-Qiang; Xu, Guan-Cheng; Luo, Yan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 43
• Pages of publication: 20140 - 20143
• a: 22.5327 ± 0.0014 Å
• b: 7.8741 ± 0.0006 Å
• c: 23.2252 ± 0.0013 Å
• α: 90°
• β: 105.655 ± 0.002°
• γ: 90°
• Cell volume: 3967.9 ± 0.5 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No