Information card for entry 4081673

Structure parameters

• Formula: C76 H83 N8 P2 Sc
• Calculated formula: C76 H83 N8 P2 Sc
• SMILES: [Sc]12([N](c3ccccc3)=P(c3ccccc3)(c3ccccc3)[N]1=P(c1ccccc1)(c1ccccc1)N2c1ccccc1)([n]1ccc(N(C)C)cc1)(=Nc1c(cccc1C(C)C)C(C)C)[n]1ccc(N(C)C)cc1.c1ccccc1C.c1c(cccc1)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: 13.9704 ± 0.0013 Å
• b: 18.0085 ± 0.0017 Å
• c: 26.947 ± 0.003 Å
• α: 90°
• β: 97.053 ± 0.002°
• γ: 90°
• Cell volume: 6728.2 ± 1.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1129
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1936
• Weighted residual factors for all reflections included in the refinement: 0.23
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No