Information card for entry 4322840

Structure parameters

• Formula: C60 H91 O2 P Zn
• Calculated formula: C60 H91 O2 P Zn
• SMILES: [Zn]([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(Oc1c(cccc1C(C)(C)C)C(C)(C)C)Oc1c(cccc1C(C)(C)C)C(C)(C)C.c1(ccccc1)C.c1(ccccc1)C
• 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: 10.984 ± 0.002 Å
• b: 14.297 ± 0.002 Å
• c: 18.8 ± 0.002 Å
• α: 71.978 ± 0.009°
• β: 78.081 ± 0.011°
• γ: 85.012 ± 0.011°
• Cell volume: 2746.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1566
• Residual factor for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections: 0.2465
• Weighted residual factors for significantly intense reflections: 0.2087
• Goodness-of-fit parameter for all reflections: 1.211
• Goodness-of-fit parameter for significantly intense reflections: 1.349
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No