Information card for entry 4069102

Structure parameters

• Formula: C52 H91 Ru4 Si Y
• Calculated formula: C52 H91 Ru4 Si Y
• SMILES: [Y]123456789%10([RuH2]%11%12%13%14([H]6)([H]7)[c]6([c]%12([c]%11([c]%13([c]%146C)C)C)C)C)([Ru]67%11%12%13%14%15%16([H]8)([Ru]8%17%18%19%20%211([H]9)([H]%10%14)([Ru]19%10%146([H]%15)([H]8)([H]%16%21)[c]6([c]1([c]9([c]%10([c]%146C)C)C)C)C)[c]1([c]%17([c]%18([c]%19([c]%201C)C)C)C)C)[c]1([c]7([c]%11([c]%12([c]%131C)C)C)C)C)[c]1([Si](C)(C)C)[c]2([c]3([c]4([c]51C)C)C)C
• Title of publication: Rare Earth/d-Transition Metal Heteromultimetallic Polyhydride Complexes Based on Half-Sandwich Rare Earth Moieties
• Authors of publication: Shima, Takanori; Hou, Zhaomin
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 7
• Pages of publication: 2244
• a: 14.4518 ± 0.001 Å
• b: 19.9079 ± 0.0013 Å
• c: 18.7401 ± 0.0012 Å
• α: 90°
• β: 102.425 ± 0.001°
• γ: 90°
• Cell volume: 5265.3 ± 0.6 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0509
• Weighted residual factors for all reflections included in the refinement: 0.0523
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No