Information card for entry 4071790

Structure parameters

• Formula: C54 H71 B Os3
• Calculated formula: C54 H65 B Os3
• SMILES: [Os]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]6([c]7([c]8([c]91C)C)C)C)C)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis of Trinuclear Osmium Polyhydrido Clusters [{(C5Me5)Os}3(μ-H)6]+and {(C5Me5)Os}3(μ-H)3(μ3-H)2and Comparison with the Ruthenium Analogues
• Authors of publication: Kameo, Hajime; Suzuki, Hiroharu
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 16
• Pages of publication: 4248
• a: 16.8668 ± 0.0007 Å
• b: 14.1879 ± 0.0005 Å
• c: 20.5803 ± 0.0008 Å
• α: 90°
• β: 103.103 ± 0.0011°
• γ: 90°
• Cell volume: 4796.7 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No