Information card for entry 4116472

Structure parameters

• Common name: C~70~^.^Co(OEP)^.^CHCl~3~^.^benzene
• Formula: C113 H50 Cl3 Co N4
• Calculated formula: C113 H50 Cl3 Co N4
• Title of publication: Interaction of Curved and Flat Molecular Surfaces. The Structures of Crystalline Compounds Composed of Fullerene (C60, C60O, C70, and C120O) and Metal Octaethylporphyrin Units
• Authors of publication: Marilyn M. Olmstead; David A. Costa; Kalyani Maitra; Bruce C. Noll; Shane L. Phillips; Pamela M. Van Calcar; Alan L. Balch
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 7090 - 7097
• a: 14.359 ± 0.0002 Å
• b: 14.628 ± 0.0002 Å
• c: 18.7817 ± 0.0002 Å
• α: 89.879 ± 0.001°
• β: 87.452 ± 0.001°
• γ: 61.097 ± 0.001°
• Cell volume: 3449.32 ± 0.08 ų
• Cell temperature: 156 ± 2 K
• Ambient diffraction temperature: 156 ± 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: 0.1649
• Residual factor for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections: 0.3097
• Weighted residual factors for significantly intense reflections: 0.2549
• Goodness-of-fit parameter for all reflections: 1.081
• Goodness-of-fit parameter for significantly intense reflections: 1.251
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No