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Information card for entry 4105101
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Coordinates | 4105101.cif |
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Original paper (by DOI) | HTML |
Common name | (dmpm)-2H |
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Chemical name | 2,5-Dimesityl-7,7-dimethyl-7H-1,6-diazacyclopenta[a]pentalene |
Formula | C29 H30 N2 |
Calculated formula | C29 H30 N2 |
SMILES | N1=C2C(C3=NC(=CC3=C2C=C1c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C)(C)C |
Title of publication | Unusual Electronic Structure of First Row Transition Metal Complexes Featuring Redox-Active Dipyrromethane Ligands |
Authors of publication | Evan R. King; Theodore A. Betley |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 14374 - 14380 |
a | 14.389 ± 0.003 Å |
b | 7.4555 ± 0.001 Å |
c | 21.93 ± 0.009 Å |
α | 90° |
β | 103.2 ± 0.03° |
γ | 90° |
Cell volume | 2290.4 ± 1.1 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0683 |
Residual factor for significantly intense reflections | 0.0524 |
Weighted residual factors for significantly intense reflections | 0.137 |
Weighted residual factors for all reflections included in the refinement | 0.1528 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4105101.html
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Users of the data should acknowledge the original authors of the
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