Information card for entry 4131785

Structure parameters

• Formula: C49 H64 N6 Si3 Zn
• Calculated formula: C49 H64 N6 Si3 Zn
• SMILES: [ZnH]12[n]3c([Si](C2([Si](C)(C)c2[n]1c1ccccc1n2C(C)C)[Si](C)(C)c1nc2ccccc2n1C(C)C)(C)C)n(c1c3cccc1)C(C)C.c1ccccc1.c1ccccc1
• Title of publication: Zinc and Magnesium Catalysts for the Hydrosilylation of Carbon Dioxide.
• Authors of publication: Rauch, Michael; Parkin, Gerard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 50
• Pages of publication: 18162 - 18165
• a: 10.7246 ± 0.0011 Å
• b: 16.4283 ± 0.0017 Å
• c: 16.4561 ± 0.0017 Å
• α: 113.938 ± 0.0013°
• β: 101.52 ± 0.0015°
• γ: 104.536 ± 0.0015°
• Cell volume: 2411.5 ± 0.4 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: 0.0417
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No