Information card for entry 1545913

Structure parameters

• Formula: C41 H57 N6 Si3 Zn
• Calculated formula: C41 H57 N6 Si3 Zn
• Title of publication: Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field
• Authors of publication: Ruccolo, Serge; Rauch, Michael; Parkin, Gerard
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 11.1387 ± 0.0006 Å
• b: 12.298 ± 0.0007 Å
• c: 17.7675 ± 0.001 Å
• α: 79.0698 ± 0.0009°
• β: 75.102 ± 0.0009°
• γ: 65.8782 ± 0.0009°
• Cell volume: 2136.8 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.117
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No