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Information card for entry 4063750
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4063750.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H31 Mo N O |
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Calculated formula | C18 H31 Mo N O |
SMILES | C(C(C)(C)C)[Mo]123456([CH2]=[CH]1C2)([c]1([c]6([c]5([c]4([c]31C)C)C)C)C)N=O |
Title of publication | Differing Reactions of Functionalized Hydrocarbons with Cp*M(NO)(alkyl)(η3-allyl) Complexes of Molybdenum and Tungsten |
Authors of publication | Tran, Tommy; Chow, Catherine; Zimmerman, Amanda C.; Thibault, Michelle E.; McNeil, W. Stephen; Legzdins, Peter |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 4 |
Pages of publication | 738 |
a | 10.6073 ± 0.0012 Å |
b | 11.4737 ± 0.0011 Å |
c | 15.0284 ± 0.0017 Å |
α | 90° |
β | 96.675 ± 0.006° |
γ | 90° |
Cell volume | 1816.6 ± 0.3 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0407 |
Residual factor for significantly intense reflections | 0.0278 |
Weighted residual factors for significantly intense reflections | 0.0641 |
Weighted residual factors for all reflections included in the refinement | 0.0685 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
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/4063750.html
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Users of the data should acknowledge the original authors of the
structural data.