Information card for entry 4116469

Structure parameters

• Common name: C~60~^.^2Co(OEP)^.^CHCl~3~
• Formula: C133 H89 Cl3 Co2 N8
• Calculated formula: C133 H89 Cl3 Co2 N8
• 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: 14.841 ± 0.008 Å
• b: 21.055 ± 0.016 Å
• c: 29.308 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9158 ± 10 ų
• Cell temperature: 154 ± 2 K
• Ambient diffraction temperature: 154 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1299
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections: 0.1969
• Weighted residual factors for significantly intense reflections: 0.1711
• Goodness-of-fit parameter for all reflections: 1.109
• Goodness-of-fit parameter for significantly intense reflections: 1.212
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No