Information card for entry 2006349

Structure parameters

• Chemical name: Triphenylsilyl(thiophenyl-2)triphenylphosphonium perrhenate dichloromethane solvate
• Formula: C43 H36 Cl2 O4 P Re S Si
• Calculated formula: C43 H36 Cl2 O4 P Re S Si
• SMILES: [Re](=O)(=O)(=O)[O-].S([P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cccc1.C(Cl)Cl
• Title of publication: Triphenyl[2-(triphenylsilyl)phenylthio]phosphonium Tetraoxorhenate(1‒)‒Dichloromethane (1/1)
• Authors of publication: Miller, John R.; Lu, Canzhong; Zheng, Yifan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 1039 - 1041
• a: 10.055 ± 0.003 Å
• b: 22.575 ± 0.004 Å
• c: 18.227 ± 0.005 Å
• α: 90°
• β: 99.359 ± 0.012°
• γ: 90°
• Cell volume: 4082.3 ± 1.8 ų
• Cell temperature: 291 ± 1 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 8
• 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: 0.0702
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for all reflections: 0.0892
• Weighted residual factors for significantly intense reflections: 0.076
• Goodness-of-fit parameter for all reflections: 1.03
• Goodness-of-fit parameter for significantly intense reflections: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No