Information card for entry 4117518

Structure parameters

• Formula: C28 H56 Cl2 P4 Ru
• Calculated formula: C28 H56 Cl2 P4 Ru
• SMILES: [Ru]12(Cl)(Cl)([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: 11.60235 ± 0.00014 Å
• b: 13.80119 ± 0.00014 Å
• c: 19.8946 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3185.65 ± 0.06 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 ± 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: 0.0366
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No