Information card for entry 4117516

Structure parameters

• Formula: C38 H60 P4 Ru
• Calculated formula: C38 H60 P4 Ru
• SMILES: [Ru]123([P]4([C@H](C)CC[C@H]4C)c4ccccc4[P]41[C@H](C)CC[C@H]4C)([P]1([C@H](C)CC[C@H]1C)c1ccccc1[P]12[C@H](C)CC[C@H]1C)[CH2]=[CH2]3
• 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: 10.2545 ± 0.0014 Å
• b: 17.707 ± 0.002 Å
• c: 19.889 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3611.4 ± 0.8 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 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: 0.0284
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No