Information card for entry 4071101

Structure parameters

• Formula: C37 H49 O2 P Ru2
• Calculated formula: C37 H49 O2 P Ru2
• SMILES: [Ru]1234567([Ru]89%10%11([H]7)([P]1(Oc1ccc(cc1)C(C)(C)C)c1ccccc1)(C2=O)[c]1([c]%11([c]8([c]9([c]%101C)C)C)C)C)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C
• Title of publication: P−H Bond Addition to a Dinuclear Ruthenium Imido Complex: Synthesis and Reactivity of an Amido Phosphido Complex
• Authors of publication: Takemoto, Shin; Kimura, Yu; Kamikawa, Ken; Matsuzaka, Hiroyuki
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 8
• Pages of publication: 1780
• a: 10.61 ± 0.003 Å
• b: 15.178 ± 0.005 Å
• c: 21.35 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3438.2 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No