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Information card for entry 4104503
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Coordinates | 4104503.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (Phenazine)Mo(PMe3)3 |
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Formula | C21 H35 Mo N2 P3 |
Calculated formula | C21 H35 Mo N2 P3 |
SMILES | [Mo]12345([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)[c]67[c]5(nc5c(n6)cccc5)[cH]4[cH]3[cH]2[cH]17 |
Title of publication | Multiple Modes for Coordination of Phenazine to Molybdenum: Ring Fusion Promotes Access to η4-Coordination, Oxidative Addition of Dihydrogen and Hydrogenation of Aromatic Nitrogen Compounds |
Authors of publication | Sattler, Aaron; Zhu, Guang; Parkin, Gerard |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Journal issue | 22 |
Pages of publication | 7828 - 7838 |
a | 9.9136 ± 0.0007 Å |
b | 15.4103 ± 0.0012 Å |
c | 16.3476 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2497.4 ± 0.3 Å3 |
Cell temperature | 243 ± 2 K |
Ambient diffraction temperature | 243 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0195 |
Residual factor for significantly intense reflections | 0.0183 |
Weighted residual factors for significantly intense reflections | 0.0482 |
Weighted residual factors for all reflections included in the refinement | 0.0488 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
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/4104503.html
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