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Information card for entry 4072391
Preview
Coordinates | 4072391.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H53 Mo N3 |
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Calculated formula | C38 H53 Mo N3 |
SMILES | [Mo]1234(=CC(C)(C)c5ccccc5)(=Nc5c(cccc5C(C)C)C(C)C)(N5[C]1(=[C]2([C]3(=[C]45C)C)C)C)n1c(c(c(c1C)C)C)C |
Title of publication | Syntheses and Structures of Molybdenum Imido Alkylidene Pyrrolide and Indolide Complexes |
Authors of publication | Marinescu, Smaranda C.; Singh, Rojendra; Hock, Adam S.; Wampler, Keith M.; Schrock, Richard R.; Müller, Peter |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 24 |
Pages of publication | 6570 |
a | 14.0969 ± 0.0007 Å |
b | 17.7008 ± 0.0009 Å |
c | 14.2302 ± 0.0007 Å |
α | 90° |
β | 106.634 ± 0.001° |
γ | 90° |
Cell volume | 3402.2 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0345 |
Residual factor for significantly intense reflections | 0.0294 |
Weighted residual factors for significantly intense reflections | 0.071 |
Weighted residual factors for all reflections included in the refinement | 0.0747 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
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/4072391.html
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Users of the data should acknowledge the original authors of the
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