Information card for entry 4340823

Structure parameters

• Chemical name: 4,5-Bis(4-methoxyphenyl)-2,2-dimethyl- [1,3,2]dithiastannole
• Formula: C18 H20 O2 S2 Sn
• Calculated formula: C18 H20 O2 S2 Sn
• SMILES: [Sn]1(SC(=C(S1)c1ccc(OC)cc1)c1ccc(OC)cc1)(C)C
• Title of publication: A Structural and Spectroscopic Investigation of Octahedral Platinum Bis(dithiolene)phosphine Complexes: Platinum Dithiolene Internal Redox Chemistry Induced by Phosphine Association.
• Authors of publication: Chandrasekaran, P.; Greene, Angelique F.; Lillich, Karen; Capone, Stephen; Mague, Joel T.; DeBeer, Serena; Donahue, James P.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 17
• Pages of publication: 9192 - 9205
• a: 13.4064 ± 0.0019 Å
• b: 10.7853 ± 0.0015 Å
• c: 25.9 ± 0.004 Å
• α: 90°
• β: 99.379 ± 0.002°
• γ: 90°
• Cell volume: 3694.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections included in the refinement: 0.0499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No