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Information card for entry 4089583
Preview
Coordinates | 4089583.cif |
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Original paper (by DOI) | HTML |
Formula | C46 H59 B Mo N2 O |
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Calculated formula | C46 H59 B Mo N2 O |
SMILES | [Mo](OB(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(=Nc1c(C(C)C)cccc1C(C)C)(n1c(ccc1C)C)=CC(c1ccccc1)(C)C |
Title of publication | New Boron-Containing Molybdenum Imido Alkylidene Complexes for Linear Olefin Homometathesis |
Authors of publication | Nasr, Alexandre; Breuil, Pierre-Alain R.; Silva, Duarte C.; Berthod, Mikaël; Dellus, Nicolas; Jeanneau, Erwann; Lemaire, Marc; Olivier-Bourbigou, Hélène |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 19 |
Pages of publication | 5320 |
a | 12.2186 ± 0.0004 Å |
b | 12.3335 ± 0.0004 Å |
c | 15.0955 ± 0.0004 Å |
α | 97.298 ± 0.002° |
β | 96.974 ± 0.002° |
γ | 111.621 ± 0.003° |
Cell volume | 2062.47 ± 0.12 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 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 | 0.044 |
Residual factor for significantly intense reflections | 0.0348 |
Weighted residual factors for all reflections | 0.0775 |
Weighted residual factors for significantly intense reflections | 0.0688 |
Weighted residual factors for all reflections included in the refinement | 0.0775 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9315 |
Diffraction radiation wavelength | 0.7107 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/4089583.html
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Users of the data should acknowledge the original authors of the
structural data.