Information card for entry 4117515

Structure parameters

• Formula: C38 H60 P4 Ru
• Calculated formula: C38 H60 P4 Ru
• SMILES: C[C@H]1CC[C@H](C)[P]21c1ccccc1[P]1([C@@H](C)CC[C@@H]1C)[Ru]132([CH2]=[CH2]1)[P]1([C@@H](C)CC[C@@H]1C)c1ccccc1[P]13[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: 10.2481 ± 0.0003 Å
• b: 17.7037 ± 0.0005 Å
• c: 19.8698 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3604.96 ± 0.17 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 4
• 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: 0.0281
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No