Information card for entry 4069103

Structure parameters

• Formula: C50 H85 Lu Ru4
• Calculated formula: C50 H85 Lu Ru4
• SMILES: [Lu]12345678([RuH4]9%10%11%12[c]%13([c]%10([c]%11([c]%12([c]9%13C)C)C)C)C)([Ru]9%10%11%12%13%14%15%16([H]6)([Ru]6%17%18%19%20%211([H]7)([H]8%15)([Ru]178%15%12([H]%16)([H]%116)([c]6([c]7([c]8([c]%15([c]16C)C)C)C)C)[H]%17)[c]1([c]%19([c]%20([c]%21([c]%181C)C)C)C)C)[c]1([c]%13([c]%14([c]9([c]%101C)C)C)C)C)[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: 17.8852 ± 0.0012 Å
• b: 15.7015 ± 0.001 Å
• c: 18.8498 ± 0.0012 Å
• α: 90°
• β: 107.764 ± 0.002°
• γ: 90°
• Cell volume: 5041.1 ± 0.6 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 4
• 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: 0.0409
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No