Information card for entry 4117519

Structure parameters

• Formula: C28 H57 Br P4 Ru
• Calculated formula: C28 H57 Br P4 Ru
• SMILES: Br[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
• 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: 9.666 ± 0.003 Å
• b: 11.403 ± 0.002 Å
• c: 15.665 ± 0.004 Å
• α: 73.02 ± 0.02°
• β: 89.56 ± 0.02°
• γ: 75.84 ± 0.02°
• Cell volume: 1597.4 ± 0.7 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No