Information card for entry 7229541

Structure parameters

• Formula: C10 H24 Br4 Cd N2
• Calculated formula: C10 H24 Br4 Cd N2
• SMILES: [NH+]1(C)CCCC1.[Cd](Br)(Br)([Br-])[Br-].[NH+]1(CCCC1)C
• Title of publication: Modulating molecular structures and dielectric transitions in organic‒inorganic hybrid crystals
• Authors of publication: Sun, Xiao-Fen; Wang, Zhongxia; Liao, Wei-Qiang; Li, Peng-Fei; Gao, Jixing; Huang, Yi-Yang; Chen, Hai-Peng; Ye, Heng-Yun; Zhang, Yi
• Journal of publication: RSC Advances
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 82
• Pages of publication: 52024
• a: 12.421 ± 0.007 Å
• b: 13.319 ± 0.007 Å
• c: 24.209 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4005 ± 4 ų
• Cell temperature: 373 ± 2 K
• Ambient diffraction temperature: 373 ± 2 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: 0.336
• Residual factor for significantly intense reflections: 0.1483
• Weighted residual factors for significantly intense reflections: 0.2672
• Weighted residual factors for all reflections included in the refinement: 0.3489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No