Information card for entry 4071663

Structure parameters

• Formula: C33 H60 Ba N4 Si4
• Calculated formula: C33 H60 Ba N4 Si4
• SMILES: [Ba](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)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: 11.6902 ± 0.0002 Å
• b: 11.6877 ± 0.0002 Å
• c: 15.7698 ± 0.0003 Å
• α: 91.931 ± 0.001°
• β: 91.114 ± 0.001°
• γ: 96.964 ± 0.001°
• Cell volume: 2136.94 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0736
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No