Information card for entry 7124921

Structure parameters

• Formula: C5 H16 Cl5 N2 Sb
• Calculated formula: C5 H16 Cl5 N2 Sb
• Title of publication: A symmetry breaking phase transition-triggered high-temperature solid-state quadratic nonlinear optical switch coupled with a switchable dielectric constant in an organic-inorganic hybrid compound.
• Authors of publication: Mei, Guang-Quan; Zhang, Han-Yue; Liao, Wei-Qiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 74
• Pages of publication: 11135 - 11138
• a: 13.514 ± 0.01 Å
• b: 7.818 ± 0.012 Å
• c: 13.8 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1458 ± 3 ų
• Cell temperature: 393 ± 2 K
• Ambient diffraction temperature: 393 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No