Information card for entry 4069101

Structure parameters

• Formula: C50 H81 Lu Ru4
• Calculated formula: C50 H75 Lu Ru4
• SMILES: [Lu]123456([Ru]789%10(C[c]%112[c]3([c]4([c]5([c]6%11C)C)C)C)[c]2([c]7([c]8([c]9([c]%102C)C)C)C)C)[RuH]234567([Ru]89%10%111([RuH]1%12%13%142([c]2([c]%14([c]%13([c]%12([c]12C)C)C)C)C)[H]7)[c]1([c]%11([c]%10([c]9([c]81C)C)C)C)C)[c]1([c]3([c]4([c]5([c]61C)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: 10.9462 ± 0.0017 Å
• b: 14.451 ± 0.002 Å
• c: 16.236 ± 0.003 Å
• α: 82.911 ± 0.002°
• β: 86.336 ± 0.002°
• γ: 72.407 ± 0.002°
• Cell volume: 2428.5 ± 0.7 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1199
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.1814
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No