Information card for entry 4071661

Structure parameters

• Formula: C33 H60 Ca N4 Si4
• Calculated formula: C33 H60 Ca N4 Si4
• SMILES: C[Si](C)(C)N([Ca](N([Si](C)(C)C)[Si](C)(C)C)=C1N(C=CN1c1c(C)cc(C)cc1C)c1c(C)cc(cc1C)C)[Si](C)(C)C
• Title of publication: Synthesis, Characterization, and Solution Lability of N-Heterocyclic Carbene Adducts of the Heavier Group 2 Bis(trimethylsilyl)amides
• Authors of publication: Barrett, Anthony G. M.; Crimmin, Mark R.; Hill, Michael S.; Kociok-Köhn, Gabriele; MacDougall, Dugald J.; Mahon, Mary F.; Procopiou, Panayiotis A.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 15
• Pages of publication: 3939
• a: 17.1111 ± 0.0004 Å
• b: 14.0257 ± 0.0004 Å
• c: 17.0902 ± 0.0004 Å
• α: 90°
• β: 97.043 ± 0.001°
• γ: 90°
• Cell volume: 4070.62 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No