Information card for entry 4116476

Structure parameters

• Common name: C~70~^.^Cu(OEP)^.^CHCl~3~^.^benzene
• Formula: C113 H50 Cl3 Cu N4
• Calculated formula: C113 H50 Cl3 Cu 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: 14.402 ± 0.006 Å
• b: 14.654 ± 0.007 Å
• c: 18.836 ± 0.011 Å
• α: 90.088 ± 0.01°
• β: 87.45 ± 0.014°
• γ: 61.38 ± 0.007°
• Cell volume: 3485 ± 3 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: 0.2197
• Residual factor for significantly intense reflections: 0.1262
• Weighted residual factors for significantly intense reflections: 0.3233
• Weighted residual factors for all reflections included in the refinement: 0.3829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No