Information card for entry 4073128

Structure parameters

• Formula: C31 H45 Lu N2 Si2
• Calculated formula: C31 H45 Lu N2 Si2
• SMILES: [Lu]12345(=C6N(c7c(cc(cc7C)C)C)C=CN6CC[c]63[cH]4[cH]5[c]32[c]16cccc3)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: Synthesis of the First Rare Earth Metal Bis(alkyl)s Bearing an Indenyl Functionalized N-Heterocyclic Carbene
• Authors of publication: Wang, Baoli; Wang, Dun; Cui, Dongmei; Gao, Wei; Tang, Tao; Chen, Xuesi; Jing, Xiabin
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 13
• Pages of publication: 3167
• a: 10.5025 ± 0.0006 Å
• b: 23.2946 ± 0.0013 Å
• c: 13.8088 ± 0.0007 Å
• α: 90°
• β: 106.838 ± 0.001°
• γ: 90°
• Cell volume: 3233.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 187 ± 2 K
• Number of distinct elements: 5
• 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: 0.0336
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No