Information card for entry 4112177

Structure parameters

• Formula: C60 H110 Lu4 O6 Si4
• Calculated formula: C60 H110 Lu4 O6 Si4
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Lu]1672345[H][Lu]23458([c]9([c]2([c]3([c]4([c]59C)C)C)C)[Si](C)(C)C)([H]7)[O]2CCCC[O]8[Lu]34578([O]1CCCC[O]6[Lu]169%102(OCCCCO3)[c]2([c]1([c]6([c]9([c]%102C)C)C)C)[Si](C)(C)C)[c]1([c]4([c]5([c]7([c]81C)C)C)C)[Si](C)(C)C)C)C)C)[Si](C)(C)C
• Title of publication: Tetranuclear Rare Earth Metal Polyhydrido Complexes Composed of "(C5Me4SiMe3)LnH2" Units. Unique Reactivities toward Unsaturated C-C, C-N, and C-O Bonds
• Authors of publication: Dongmei Cui; Olivier Tardif; Zhaomin Hou
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 1312 - 1313
• a: 24.44 ± 0.004 Å
• b: 18.673 ± 0.003 Å
• c: 14.797 ± 0.002 Å
• α: 90°
• β: 96.848 ± 0.002°
• γ: 90°
• Cell volume: 6704.7 ± 1.8 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No