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Information card for entry 4107390
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Coordinates | 4107390.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | qoxMoP3 |
---|---|
Formula | C17 H33 Mo N2 P3 |
Calculated formula | C17 H33 Mo N2 P3 |
SMILES | [Mo]12345([n]6[c]72cccc[c]37[n]1[cH]4[cH]56)([P](C)(C)C)([P](C)(C)C)[P](C)(C)C |
Title of publication | New Modes for Coordination of Aromatic Heterocyclic Nitrogen Compounds to Molybdenum: Catalytic Hydrogenation of Quinoline, Isoquinoline, and Quinoxaline by Mo(PMe3)4H4 |
Authors of publication | Guang Zhu; Keliang Pang; Gerard Parkin |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 1564 - 1565 |
a | 17.9472 ± 0.0012 Å |
b | 13.4906 ± 0.0009 Å |
c | 18.049 ± 0.0012 Å |
α | 90° |
β | 97.63 ± 0.002° |
γ | 90° |
Cell volume | 4331.3 ± 0.5 Å3 |
Cell temperature | 243 ± 2 K |
Ambient diffraction temperature | 243 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0461 |
Residual factor for significantly intense reflections | 0.038 |
Weighted residual factors for significantly intense reflections | 0.2099 |
Weighted residual factors for all reflections included in the refinement | 0.2225 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.169 |
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/4107390.html
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