Information card for entry 4117514

Structure parameters

• Formula: C34 H69 B O2 P4 Ru
• Calculated formula: C34 H69 B O2 P4 Ru
• SMILES: [RuH]12([P]3([C@H](C)CC[C@H]3C)CC[P]31[C@H](C)CC[C@H]3C)([P]1([C@H](C)CC[C@H]1C)CC[P]12[C@H](C)CC[C@H]1C)B1OC(C)(C(O1)(C)C)C
• Title of publication: Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies
• Authors of publication: Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 3480 - 3497
• a: 10.09766 ± 0.00017 Å
• b: 18.0979 ± 0.0003 Å
• c: 20.9211 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3823.26 ± 0.11 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• 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: 0.0289
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No