Information card for entry 4079991

Structure parameters

• Formula: C14 H36 P4 Ru S4
• Calculated formula: C14 H36 P4 Ru S4
• SMILES: [Ru]12([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)C[P+](C)(C)C(S1)SC(=S)S2
• Title of publication: Reactions of CO2and CS2with [RuH(η2-CH2PMe2)(PMe3)3]
• Authors of publication: Field, Leslie D.; Jurd, Peter M.; Magill, Alison M.; Bhadbhade, Mohan M.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 2
• Pages of publication: 636
• a: 11.744 ± 0.004 Å
• b: 8.946 ± 0.003 Å
• c: 22.866 ± 0.008 Å
• α: 90°
• β: 94.403 ± 0.018°
• γ: 90°
• Cell volume: 2395.3 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0861
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No