Information card for entry 4081675

Structure parameters

• Formula: C64 H83 Lu N4 P2 Si
• Calculated formula: C64 H83 Lu N4 P2 Si
• SMILES: [Lu]12([N](=P([N]1=P(N2c1c(cccc1C(C)C)C(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C)(Nc1c(cccc1C(C)C)C(C)C)C[Si](C)(C)C
• Title of publication: Facile Preparation of a Scandium Terminal Imido Complex Supported by a Phosphazene Ligand
• Authors of publication: Rong, Weifeng; Cheng, Jianhua; Mou, Zehuai; Xie, Hongyan; Cui, Dongmei
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 19
• Pages of publication: 5523
• a: 23.0407 ± 0.0012 Å
• b: 13.1043 ± 0.0007 Å
• c: 21.4908 ± 0.0011 Å
• α: 90°
• β: 114.098 ± 0.001°
• γ: 90°
• Cell volume: 5923.3 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No