Information card for entry 4065522

Structure parameters

• Formula: C30 H46 O2 Os Ru2
• Calculated formula: C30 H46 O2 Os1.0001 Ru2.0002
• SMILES: [Ru]12345678([Ru]9%10%11%12%13%14([Os]%15%16%17%181([H]8)([O]2%14)([O]39)[c]1([c]%18([c]%15([c]%16([c]%171C)C)C)C)C)[c]1([c]%13([c]%12([c]%11([c]%101C)C)C)C)C)[c]1([c]4([c]5([c]6([c]71C)C)C)C)C
• Title of publication: Heterometallic Effects in Nitrogen‒Hydrogen Bond Cleavage by Trinuclear Mixed-Metal Polyhydrido Clusters Containing Ruthenium and Osmium
• Authors of publication: Kameo, Hajime; Nakajima, Yumiko; Namura, Kyo; Suzuki, Hiroharu
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 24
• Pages of publication: 6703
• a: 10.962 ± 0.004 Å
• b: 10.978 ± 0.004 Å
• c: 15.446 ± 0.004 Å
• α: 73.869 ± 0.011°
• β: 71.017 ± 0.012°
• γ: 60.3 ± 0.012°
• Cell volume: 1511.3 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No