Information card for entry 4084625

Structure parameters

• Formula: C26 H56 N2 O4 P4 Zn
• Calculated formula: C26 H56 N2 O4 P4 Zn
• SMILES: [Zn]12([P](N=P(C(C)C)(C(C)C)C(=O)O1)(C(C)C)C(C)C)[P](N=P(C(C)C)(C(C)C)C(=O)O2)(C(C)C)C(C)C
• 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: 9.1168 ± 0.0003 Å
• b: 17.4986 ± 0.0006 Å
• c: 22.0701 ± 0.0007 Å
• α: 91.779 ± 0.002°
• β: 97.736 ± 0.002°
• γ: 91.086 ± 0.002°
• Cell volume: 3486.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No