Information card for entry 4084627

Structure parameters

• Formula: C41 H58 N2 O2 P4 Zn2
• Calculated formula: C41 H58 N2 O2 P4 Zn2
• SMILES: [Zn]12([P](N=P(C(C)C)(C(C)C)C(=O)[O]2[Zn](N([P]1(C(C)C)C(C)C)P(c1ccccc1)c1ccccc1)CC)(c1ccccc1)c1ccccc1)CC
• 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: 9.9776 ± 0.0009 Å
• b: 10.8281 ± 0.001 Å
• c: 19.8181 ± 0.0019 Å
• α: 86.026 ± 0.005°
• β: 82.961 ± 0.006°
• γ: 89.971 ± 0.005°
• Cell volume: 2119.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0486
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No