Information card for entry 4119795

Structure parameters

• Formula: C30 H48 Bi N3 O Si
• Calculated formula: C30 H48 Bi N3 O Si
• SMILES: [Bi]1([N](Cc2c1c(ccc2)CN(C)C)(C)C)(c1cc(c(O[Si](C)(C)C)c(c1)C(C)(C)C)C(C)(C)C)C#N
• Title of publication: Insertion of CO2 and COS into Bi-C Bonds: Reactivity of a Bismuth NCN Pincer Complex of an Oxyaryl Dianionic Ligand, [2,6-(Me2NCH2)2C6H3]Bi(C6H2tBu2O)
• Authors of publication: Douglas R. Kindra; Ian J. Casely; Megan E. Fieser; Joseph W. Ziller; Filipp Furche; William J. Evans
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 7777 - 7787
• a: 12.9129 ± 0.0007 Å
• b: 14.9962 ± 0.0008 Å
• c: 17.9034 ± 0.001 Å
• α: 101.323 ± 0.0006°
• β: 101.237 ± 0.0006°
• γ: 98.9213 ± 0.0006°
• Cell volume: 3266.2 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0211
• Residual factor for significantly intense reflections: 0.0167
• Weighted residual factors for significantly intense reflections: 0.0374
• Weighted residual factors for all reflections included in the refinement: 0.0385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No