Information card for entry 4112176

Structure parameters

• Formula: C62 H106 Si4 Y4
• Calculated formula: C62 H106 Si4 Y4
• SMILES: [Y]123456789([c]%10([c]4([c]3([c]2([c]1%10C)C)C)C)[Si](C)(C)C)[cH]1c[cH]2[Y]34%10%11%12%13%14%15([H][Y]%16%17%18%19%20%21([c]%22([c]%17([c]%18([c]%19([c]%20%22[Si](C)(C)C)C)C)C)C)([H]6%13[Y]6%13%17%18([c]%19([c]6([c]%13([c]%17([c]%18%19[Si](C)(C)C)C)C)C)C)([H]7%21)([H]%14%16)([H]%15)[H]9)[H]8)([c]6([c]3([c]4([c]%10([c]%116[Si](C)(C)C)C)C)C)C)C([c]2%12c[cH]51)C.c1ccccc1
• 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: 22.5643 ± 0.001 Å
• b: 13.1414 ± 0.0006 Å
• c: 23.1746 ± 0.001 Å
• α: 90°
• β: 102.976 ± 0.001°
• γ: 90°
• Cell volume: 6696.4 ± 0.5 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: 0.0484
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No