Information card for entry 7117993

Structure parameters

• Formula: C42 H46 N2 P2 Si2 Zn
• Calculated formula: C42 H46 N2 P2 Si2 Zn
• SMILES: [Zn]12([P](C([Si](C)(C)C)=C3N1C=CC=C3)(c1ccccc1)c1ccccc1)[P](C([Si](C)(C)C)=C1N2C=CC=C1)(c1ccccc1)c1ccccc1
• Title of publication: Unexpected formal insertion of CO2 into the C-Si bonds of a zinc compound
• Authors of publication: Genette I. McGrew; Pathik A. Khatri; William E. Geiger; Richard A. Kemp; Rory Waterman
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 15804
• a: 9.3979 ± 0.0017 Å
• b: 16.24 ± 0.003 Å
• c: 13.49 ± 0.002 Å
• α: 90°
• β: 100.87 ± 0.002°
• γ: 90°
• Cell volume: 2021.9 ± 0.6 ų
• Cell temperature: 128 ± 2 K
• Ambient diffraction temperature: 128 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No