Information card for entry 4084623

Structure parameters

• Formula: C36 H48 N2 P4 Zn
• Calculated formula: C36 H48 N2 P4 Zn
• SMILES: [Zn]12(P(=N[P]1(c1ccccc1)c1ccccc1)(C(C)C)C(C)C)P(=N[P]2(c1ccccc1)c1ccccc1)(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: 12.6683 ± 0.001 Å
• b: 20.4452 ± 0.0014 Å
• c: 14.5846 ± 0.0011 Å
• α: 90°
• β: 92.207 ± 0.005°
• γ: 90°
• Cell volume: 3774.7 ± 0.5 ų
• Cell temperature: 228 ± 2 K
• Ambient diffraction temperature: 228 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No