Information card for entry 4070381

Structure parameters

• Formula: C61 H80 F4 N4 Si
• Calculated formula: C61 H80 F4 N4 Si
• Title of publication: Neutral Penta- and Hexacoordinate N-Heterocyclic Carbene Complexes Derived from SiX4(X = F, Br)
• Authors of publication: Ghadwal, Rajendra S.; Sen, Sakya S.; Roesky, Herbert W.; Tavcar, Gasper; Merkel, Sebastian; Stalke, Dietmar
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 21
• Pages of publication: 6374
• a: 12.7184 ± 0.0011 Å
• b: 14.6505 ± 0.0011 Å
• c: 20.0103 ± 0.0016 Å
• α: 73.578 ± 0.001°
• β: 85.809 ± 0.001°
• γ: 74.809 ± 0.001°
• Cell volume: 3451.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No