Information card for entry 4069100

Structure parameters

• Formula: C52 H87 Ru4 Si Y
• Calculated formula: C52 H87 Ru4 Si Y
• SMILES: [RuH]1234567([Y]89%10%11%12%13([Ru]%14%15%16%17%18%19%20%21([Ru]%22%23%24%25%26%27%12([H]%13%19)([Ru]%12%13%19%28%17([H]%20)([H]%26)([H]%21%27)[c]%17([c]%13([c]%19([c]%28([c]%12%17C)C)C)C)C)[c]%12([c]%22([c]%23([c]%24([c]%25%12C)C)C)C)C)[c]%12([c]%18([c]%14([c]%15([c]%16%12C)C)C)C)C)([c]%12([Si](C)(C)C)[c]8([c]9([c]%10([c]%11%12C)C)C)C1)([H]7)[H]6)[c]1([c]2([c]3([c]4([c]51C)C)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: 16.9511 ± 0.0009 Å
• b: 15.9243 ± 0.0009 Å
• c: 19.5526 ± 0.001 Å
• α: 90°
• β: 99.384 ± 0.001°
• γ: 90°
• Cell volume: 5207.3 ± 0.5 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: 0.0578
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 0.812
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No