Information card for entry 4116475

Structure parameters

• Common name: (C~60~OC~60~)^.^2Co(OEP)^.^1.2CHCl~3~^.^0.8benzene
• Formula: C198 H94 Cl3.6 Co2 N8 O
• Calculated formula: C201.9 H94 Cl3.6 Co2 N8 O
• 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: 24.271 ± 0.005 Å
• b: 15.199 ± 0.002 Å
• c: 17.27 ± 0.002 Å
• α: 90°
• β: 108.974 ± 0.011°
• γ: 90°
• Cell volume: 6024.7 ± 1.7 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.2366
• Residual factor for significantly intense reflections: 0.1508
• Weighted residual factors for significantly intense reflections: 0.3887
• Weighted residual factors for all reflections included in the refinement: 0.4554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.439
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No