Information card for entry 4085113

Structure parameters

• Formula: C41 H48 N2 P3 S2 Sc Si2
• Calculated formula: C41 H48 N2 P3 S2 Sc Si2
• Title of publication: Scandium Carbene Complexes: Synthesis of Mixed Alkyl, Amido, and Phosphido Derivatives
• Authors of publication: Fustier, Marie; Le Goff, Xavier-Frédéric; Lutz, Martin; Slootweg, J. Chris; Mézailles, Nicolas
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 1
• Pages of publication: 63
• a: 15.4243 ± 0.0006 Å
• b: 17.824 ± 0.0007 Å
• c: 19.8192 ± 0.0008 Å
• α: 64.902 ± 0.001°
• β: 67.2485 ± 0.001°
• γ: 70.2251 ± 0.001°
• Cell volume: 4450.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No