Information card for entry 4065524

Structure parameters

• Formula: C30 H46 O2 Os3
• Calculated formula: C32 H45 Os3
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Os]1672345[O]2[Os]345896([O]1[Os]16%10%11729[c]2([c]1([c]6([c]%10([c]%112C)C)C)C)C)[c]1([c]3([c]4([c]5([c]81C)C)C)C)C)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: 18.4828 ± 0.0007 Å
• b: 18.4828 ± 0.0007 Å
• c: 15.7459 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4658.4 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0253
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No