Information card for entry 4084622

Structure parameters

• Formula: C67 H74 N2 O2 P4 Zn2
• Calculated formula: C67 H74 N2 O2 P4 Zn2
• SMILES: [Zn]1(N(P(c2ccccc2)c2ccccc2)[P]([Zn](N(P(c2ccccc2)c2ccccc2)[P]1(c1ccccc1)c1ccccc1)CC)(c1ccccc1)c1ccccc1)(CC)[O]1CCCC1.Cc1ccccc1.O1CCCC1
• Title of publication: Structures and CO2Reactivity of Zinc Complexes of Bis(diisopropyl-) and Bis(diphenylphosphino)amines
• Authors of publication: Dickie, Diane A.; Kemp, Richard A.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 22
• Pages of publication: 6511
• a: 16.7212 ± 0.0009 Å
• b: 12.2921 ± 0.0006 Å
• c: 30.4471 ± 0.0014 Å
• α: 90°
• β: 98.576 ± 0.003°
• γ: 90°
• Cell volume: 6188.1 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No