Information card for entry 8104572

Structure parameters

• Formula: C14 H14 Br2 Sn
• Calculated formula: C14 H14 Br2 Sn
• SMILES: C[Sn](C)(c1ccc(cc1)Br)c1ccc(cc1)Br
• Title of publication: Crystal structure of dimethyl-bis(4-bromophenyl-κC 1)tin(IV), C14H14Br2Sn
• Authors of publication: Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R. T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 6
• Pages of publication: 1227 - 1229
• a: 12.9848 ± 0.0002 Å
• b: 18.9911 ± 0.0002 Å
• c: 6.055 ± 0.0001 Å
• α: 90°
• β: 99.136 ± 0.001°
• γ: 90°
• Cell volume: 1474.19 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0201
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No