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Information card for entry 4116471
Preview
Coordinates | 4116471.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Co(OEP)]~2~C~60~O^.^CHCl~3~ |
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Formula | C133 H89 Cl3 Co2 N8 O |
Calculated formula | C133 H89 Cl2.994 Co2 N8 O0.727 |
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 | 14.846 ± 0.003 Å |
b | 21.06 ± 0.005 Å |
c | 29.249 ± 0.008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 9145 ± 4 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1133 |
Residual factor for significantly intense reflections | 0.0689 |
Weighted residual factors for all reflections | 0.1844 |
Weighted residual factors for significantly intense reflections | 0.1548 |
Goodness-of-fit parameter for all reflections | 1.063 |
Goodness-of-fit parameter for significantly intense reflections | 1.122 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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