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Information card for entry 4116476
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Coordinates | 4116476.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | C~70~^.^Cu(OEP)^.^CHCl~3~^.^benzene |
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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 Å3 |
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 |
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