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Information card for entry 7120118
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Coordinates | 7120118.cif |
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Original paper (by DOI) | HTML |
Common name | Molybdenum(VI) bis{5,10,15-tris(4-methylphenyl)corrole} |
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Chemical name | Bis{5,10,15-tris(4-methylphenyl)corrolato}molybdenum(VI) |
Formula | C81 H60 Cl2 Mo N8 |
Calculated formula | C80.998 H59.996 Cl1.998 Mo N8 |
Title of publication | Relativistic effects in metallocorroles: comparison of molybdenum and tungsten biscorroles. |
Authors of publication | Alemayehu, Abraham B.; Vazquez-Lima, Hugo; McCormick, Laura J.; Ghosh, Abhik |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2017 |
a | 11.5246 ± 0.0006 Å |
b | 16.3595 ± 0.0008 Å |
c | 16.8248 ± 0.0009 Å |
α | 78.965 ± 0.003° |
β | 86.497 ± 0.003° |
γ | 84.031 ± 0.003° |
Cell volume | 3093.8 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.1148 |
Residual factor for significantly intense reflections | 0.0723 |
Weighted residual factors for significantly intense reflections | 0.1624 |
Weighted residual factors for all reflections included in the refinement | 0.1868 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation wavelength | 0.8857 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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