Information card for entry 4112178

Structure parameters

• Formula: C86 H126 Lu4 N4 O Si4
• Calculated formula: C86 H126 Lu4 N4 O Si4
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Lu]162345[N]2(Cc3ccccc3)[Lu]34578([N]1(Cc1ccccc1)[Lu]19%10%11%12([c]%13([c]1([c]9([c]%10([c]%11%13C)C)C)C)[Si](C)(C)C)[N]6(Cc1ccccc1)[Lu]169%102([N]3%12Cc2ccccc2)[c]2([c]1([c]6([c]9([c]2%10C)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.O1CCCC1.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: 18.165 ± 0.003 Å
• b: 21.836 ± 0.003 Å
• c: 21.363 ± 0.003 Å
• α: 90°
• β: 90.861 ± 0.002°
• γ: 90°
• Cell volume: 8473 ± 2 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 6
• 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: 0.0445
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No