Information card for entry 4082057

Structure parameters

• Formula: C29 H31 O4 P Ru
• Calculated formula: C29 H31 O4 P Ru
• SMILES: [Ru]123456([P](c7ccccc7)(c7ccccc7)c7ccccc7)(OC(=O)O1)[cH]1[cH]2[c]3([cH]4[cH]5[c]61C(C)C)C.O
• Title of publication: Enhanced Carbon Dioxide Hydrogenation Facilitated by Catalytic Quantities of Bicarbonate and Other Inorganic Salts
• Authors of publication: Drake, Jessica L.; Manna, Cesar M.; Byers, Jeffery A.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 23
• Pages of publication: 6891
• a: 9.0094 ± 0.0003 Å
• b: 14.3971 ± 0.0004 Å
• c: 21.0729 ± 0.0006 Å
• α: 90°
• β: 94.352 ± 0.001°
• γ: 90°
• Cell volume: 2725.47 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0238
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No