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Information card for entry 7105511
Preview
Coordinates | 7105511.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H33 Cu N4 O2 P2 |
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Calculated formula | C43 H33 Cu N4 O2 P2 |
SMILES | c1(ccccc1)[P]1(c2ccccc2)c2ccccc2C=Nc2cccc(n2)N=Cc2ccccc2[P](c2ccccc2)(c2ccccc2)[Cu]21[O]=NO2 |
Title of publication | Coordination of NO2− ligand to Cu(i) ion in an O,O-bidentate fashion that evolves NO gas upon protonation: a model reaction relevant to the denitrification process |
Authors of publication | Chen, Chi-Shian; Yeh, Wen-Yann |
Journal of publication | Chemical Communications |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 18 |
Pages of publication | 3098 - 3100 |
a | 9.882 ± 0.002 Å |
b | 13.036 ± 0.003 Å |
c | 15.533 ± 0.003 Å |
α | 81.005 ± 0.005° |
β | 76.103 ± 0.007° |
γ | 83.054 ± 0.005° |
Cell volume | 1911.3 ± 0.7 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0903 |
Residual factor for significantly intense reflections | 0.0545 |
Weighted residual factors for significantly intense reflections | 0.1273 |
Weighted residual factors for all reflections included in the refinement | 0.1421 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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