Information card for entry 7010533

Structure parameters

• Formula: C42 H35 P S3 Sn
• Calculated formula: C42 H35 P S3 Sn
• SMILES: [Sn](Sc1ccccc1)(Sc1ccccc1)Sc1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Structural distortions in homoleptic (RE)4A (E = O, S, Se; A = C, Si, Ge, Sn): implications for the CVD of tin sulfides
• Authors of publication: Barone, Giampaolo; Hibbert, Thomas G.; Mahon, Mary F.; Molloy, Kieran C.; Parkin, Ivan P.; Price, Louise S.; Silaghi-Dumitrescu, Ioan
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 23
• Pages of publication: 3435
• a: 10.706 ± 0.001 Å
• b: 17.42 ± 0.002 Å
• c: 20.17 ± 0.002 Å
• α: 90°
• β: 104.719 ± 0.008°
• γ: 90°
• Cell volume: 3638.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0389
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 0.719
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No