Information card for entry 4069098

Structure parameters

• Formula: C36 H65 Lu O Si W2
• Calculated formula: C36 H50 Lu O Si W2
• SMILES: [Lu]1234567([H][W]89%10%11%12%13([H]1)([W]1%14%15%16([H]6)([H]7)([H]%12)([H]%13)[c]6([c]%14([c]%15([c]1([c]6%16C)C)C)C)C)[c]1([c]9([c]8([c]%10([c]1%11C)C)C)C)C)([O]1CCCC1)[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: 22.1508 ± 0.0015 Å
• b: 8.6388 ± 0.0006 Å
• c: 21.9077 ± 0.0015 Å
• α: 90°
• β: 112.433 ± 0.001°
• γ: 90°
• Cell volume: 3874.9 ± 0.5 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No