Information card for entry 4131786

Structure parameters

• Formula: C44 H58 Mg N6 O2 Si3
• Calculated formula: C44 H58 Mg N6 O2 Si3
• SMILES: C1([Si](C)(c2[n]3c4ccccc4n2C(C)C)C)([Si](C)(C)c2[n]([Mg]1345OC=[O]4)c1ccccc1n2C(C)C)[Si](C)(C)c1[n]5c2ccccc2n1C(C)C.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: 9.4147 ± 0.0004 Å
• b: 18.9452 ± 0.0008 Å
• c: 12.4092 ± 0.0005 Å
• α: 90°
• β: 100.67 ± 0.0006°
• γ: 90°
• Cell volume: 2175.08 ± 0.16 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No