Information card for entry 4117513

Structure parameters

• Formula: C42 H64 P4 Ru Si
• Calculated formula: C42 H64 P4 Ru Si
• SMILES: c1(ccccc1)[SiH2][RuH]12([P]3(c4c(cccc4)[P]41[C@H](C)CC[C@H]4C)[C@H](C)CC[C@H]3C)[P]1([C@H](C)CC[C@H]1C)c1ccccc1[P]12[C@H](C)CC[C@H]1C
• 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: 11.6044 ± 0.0003 Å
• b: 16.5646 ± 0.0002 Å
• c: 12.0137 ± 0.0003 Å
• α: 90°
• β: 118.031 ± 0.003°
• γ: 90°
• Cell volume: 2038.4 ± 0.1 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No