Information card for entry 4068969

Structure parameters

• Formula: C13 H36 P4 Ru
• Calculated formula: C13 H36 P4 Ru
• SMILES: [RuH]12([P](C)(C)CC[P]1(C)C)([P](CC[P]2(C)C)(C)C)C
• Title of publication: Insertion of CO2into the Ru−C Bonds ofcis-andtrans-Ru(dmpe)2Me2(dmpe = Me2PCH2CH2PMe2)
• Authors of publication: Allen, Olivia R.; Dalgarno, Scott J.; Field, Leslie D.; Jensen, Paul; Willis, Anthony C.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 8
• Pages of publication: 2385
• a: 17.6025 ± 0.0014 Å
• b: 9.1856 ± 0.0007 Å
• c: 12.2908 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1987.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No