Information card for entry 7117994

Structure parameters

• Formula: C32 H54 N2 O4 P2 Si2 Zn
• Calculated formula: C32 H54 N2 O4 P2 Si2 Zn
• SMILES: [Zn]12([P](C(C(=O)O[Si](C)(C)C)=C3N1C=CC=C3)(C(C)C)C(C)C)[P](C(C(=O)O[Si](C)(C)C)=C1N2C=CC=C1)(C(C)C)C(C)C
• 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: 9.3607 ± 0.0007 Å
• b: 14.583 ± 0.0011 Å
• c: 15.9704 ± 0.0013 Å
• α: 63.857 ± 0.001°
• β: 81.986 ± 0.001°
• γ: 78.518 ± 0.001°
• Cell volume: 1914.6 ± 0.3 ų
• Cell temperature: 129 ± 2 K
• Ambient diffraction temperature: 129 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No