Information card for entry 8104582

Structure parameters

• Formula: C25 H23 Br2 Cl3 N2 Sn
• Calculated formula: C25 H23 Br2 Cl3 N2 Sn
• SMILES: [Sn](Br)(Br)(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.[nH+]1ccc(N(C)C)cc1
• Title of publication: Crystal structure of 4-(dimethylamino)pyridinium dibromido-tris(4-chlorophenyl-κC)stannate(IV), C25H23Br2Cl3N2Sn
• 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: 1267 - 1269
• a: 10.9372 ± 0.0001 Å
• b: 23.1045 ± 0.0001 Å
• c: 11.1856 ± 0.0001 Å
• α: 90°
• β: 106.942 ± 0.001°
• γ: 90°
• Cell volume: 2703.91 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0172
• Residual factor for significantly intense reflections: 0.0167
• Weighted residual factors for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.0393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No