Information card for entry 4322839

Structure parameters

• Formula: C55 H71 O2 P Zn
• Calculated formula: C55 H71 O2 P Zn
• SMILES: [Zn]([P](c1ccccc1)(c1ccccc1)C)(Oc1c(C(C)(C)C)cccc1C(C)(C)C)Oc1c(C(C)(C)C)cccc1C(C)(C)C.c1c(cccc1)C.c1ccccc1C
• Title of publication: Phosphine Adducts of Monomeric Zinc(bis-phenoxides): Solution and Solid-State Structures of (2,6-Di-tert-butylphenoxide)ZnL Complexes (L = PMePh2 and PCy3)
• Authors of publication: Donald J. Darensbourg; Marc S. Zimmer; Patrick Rainey; David L. Larkins
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 2852 - 2853
• a: 10.762 ± 0.002 Å
• b: 37.078 ± 0.007 Å
• c: 12.866 ± 0.003 Å
• α: 90°
• β: 106.57 ± 0.03°
• γ: 90°
• Cell volume: 4920.8 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.144
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections: 0.2134
• Weighted residual factors for significantly intense reflections: 0.1795
• Goodness-of-fit parameter for all reflections: 1.026
• Goodness-of-fit parameter for significantly intense reflections: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No