Information card for entry 7126251

Structure parameters

• Formula: C4 H12 Cl2 In N
• Calculated formula: C4 H12 Cl2 In N
• Title of publication: Nonlinear organic-inorganic halide hybrids containing unprecedented linear [MIX₂]^- coordination units and quasi-two-dimensional lone pairs.
• Authors of publication: Wu, Qi; Liu, Xian; Du, Yeshuang; Teng, Chunlin; Liang, Fei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 36
• Pages of publication: 4894 - 4897
• a: 9.2807 ± 0.0001 Å
• b: 9.2807 ± 0.0001 Å
• c: 5.8414 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 503.128 ± 0.019 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 113
• Hermann-Mauguin space group symbol: P -4 21 m
• Hall space group symbol: P -4 2ab
• Residual factor for all reflections: 0.0152
• Residual factor for significantly intense reflections: 0.0152
• Weighted residual factors for significantly intense reflections: 0.0416
• Weighted residual factors for all reflections included in the refinement: 0.0416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No