Information card for entry 4301777

Structure parameters

• Formula: C12 H36 Cl2 O9 P4 Ru
• Calculated formula: C12 H24 Cl2 O9 P4 Ru
• SMILES: Cl[Ru]12(Cl)([P](CC[P]1(CO)CO)(CO)CO)[P](CC[P]2(CO)CO)(CO)CO.O
• Title of publication: Aqueous Coordination Chemistry of H2: Why is Coordinated H2 Inert to Substitution by Water intrans-Ru(P2)2(H2)H±type Complexes (P2= a Chelating Phosphine)?
• Authors of publication: Nathaniel K. Szymczak; Dale A. Braden; Justin L. Crossland; Yevgeniya Turov; Lev N. Zakharov; David R. Tyler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2976 - 2984
• a: 10.8376 ± 0.0015 Å
• b: 24.915 ± 0.004 Å
• c: 9.5442 ± 0.0013 Å
• α: 90°
• β: 118.651 ± 0.002°
• γ: 90°
• Cell volume: 2261.6 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No