Information card for entry 8105284

Structure parameters

• Formula: C42 H42 As Cl O Sn
• Calculated formula: C42 H42 As Cl O Sn
• SMILES: [Sn](Cl)([O]=[As](c1ccccc1)(c1ccccc1)c1ccccc1)(Cc1ccc(cc1)C)(Cc1ccc(cc1)C)Cc1ccc(cc1)C
• Title of publication: Crystal structure of chlorido-tris(4-methylbenzyl-κC)-(triphenylarsine oxide-κO)tin(IV), C42H42AsClOSn
• 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: 2020
• Journal volume: 235
• Journal issue: 4
• Pages of publication: 775 - 777
• a: 17.5342 ± 0.0001 Å
• b: 11.1174 ± 0.0001 Å
• c: 18.5675 ± 0.0001 Å
• α: 90°
• β: 95.405 ± 0.001°
• γ: 90°
• Cell volume: 3603.36 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.019
• Residual factor for significantly intense reflections: 0.0184
• Weighted residual factors for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.0465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No