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Information card for entry 7230576
Preview
Coordinates | 7230576.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H24 Br Mo N5 O3 |
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Calculated formula | C19 H24 Br Mo N5 O3 |
Title of publication | Molybdenum(0) tricarbonyl and tetracarbonyl complexes with a cationic pyrazolylpyridine ligand: synthesis, crystal structures and catalytic performance in olefin epoxidation |
Authors of publication | Nogueira, Lucie S.; Neves, Patrícia; Gomes, Ana C.; Lavrador, Pedro; Cunha-Silva, Luís; Valente, Anabela A.; Gonçalves, Isabel S.; Pillinger, Martyn |
Journal of publication | RSC Advances |
Year of publication | 2018 |
Journal volume | 8 |
Journal issue | 29 |
Pages of publication | 16294 |
a | 7.406 ± 0.0006 Å |
b | 9.7868 ± 0.0007 Å |
c | 15.3808 ± 0.0012 Å |
α | 90° |
β | 97.385 ± 0.004° |
γ | 90° |
Cell volume | 1105.57 ± 0.15 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0578 |
Residual factor for significantly intense reflections | 0.0415 |
Weighted residual factors for significantly intense reflections | 0.0825 |
Weighted residual factors for all reflections included in the refinement | 0.0889 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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