Information card for entry 4069051

Structure parameters

• Formula: C31 H52 Os2 Ru
• Calculated formula: C30 H30 Os2 Ru
• SMILES: [Ru]12345([Os]6789([Os]%10%11%12%131[c]1([c]%10([c]%11([c]%12([c]%131C)C)C)C)C)[c]1([c]9([c]8([c]7([c]61C)C)C)C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Synthesis of Heterometallic Trinuclear Polyhydrido Clusters Containing Ruthenium and Osmium and Their Electronic and Structural Deviation from Homometallic Systems
• Authors of publication: Kameo, Hajime; Shima, Takanori; Nakajima, Yumiko; Suzuki, Hiroharu
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 8
• Pages of publication: 2535
• a: 11.1413 ± 0.0004 Å
• b: 19.1872 ± 0.0006 Å
• c: 29.0758 ± 0.0009 Å
• α: 90°
• β: 92.535 ± 0.001°
• γ: 90°
• Cell volume: 6209.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0596
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No