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Information card for entry 4113803
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Coordinates | 4113803.cif |
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Original paper (by DOI) | HTML |
Common name | Cp*Mo(NO)(CH2CMe3)2 (1) |
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Chemical name | Molybdenum,bis(2,2-dimethylpropyl)nitrosyl [(5-.eta.)pentamethylcyclopentadienyl] |
Formula | C20 H37 Mo N O |
Calculated formula | C20 H37 Mo N O |
Title of publication | Intermolecular Activation of Hydrocarbon C-H Bonds under Ambient Conditions by 16-Electron Neopentylidene and Benzyne Complexes of Molybdenum |
Authors of publication | Kenji Wada; Craig B. Pamplin; Peter Legzdins; Brian O. Patrick; Irina Tsyba; Robert Bau |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2003 |
Journal volume | 125 |
Pages of publication | 7035 - 7048 |
a | 8.9121 ± 0.0017 Å |
b | 21.702 ± 0.004 Å |
c | 11.26 ± 0.002 Å |
α | 90° |
β | 105.61 ± 0.003° |
γ | 90° |
Cell volume | 2097.5 ± 0.7 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0593 |
Residual factor for significantly intense reflections | 0.0444 |
Weighted residual factors for significantly intense reflections | 0.0978 |
Weighted residual factors for all reflections included in the refinement | 0.1038 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4113803.html
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