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Information card for entry 4067493
Preview
Coordinates | 4067493.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H32 B F4 Mo N3 O2 |
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Calculated formula | C30 H32 B F4 Mo N3 O2 |
SMILES | [Mo]1234([N]#CC)([cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])(C#[O])=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.[B](F)(F)(F)[F-] |
Title of publication | Cyclopentadienyl Molybdenum(II/VI) N-Heterocyclic Carbene Complexes: Synthesis, Structure, and Reactivity under Oxidative Conditions |
Authors of publication | Li, Shenyu; Kee, Choon Wee; Huang, Kuo-Wei; Hor, T. S. Andy; Zhao, Jin |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 8 |
Pages of publication | 1924 |
a | 10.0866 ± 0.0004 Å |
b | 15.4291 ± 0.0006 Å |
c | 19.6799 ± 0.0008 Å |
α | 90° |
β | 103.506 ± 0.001° |
γ | 90° |
Cell volume | 2978 ± 0.2 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0448 |
Residual factor for significantly intense reflections | 0.0406 |
Weighted residual factors for significantly intense reflections | 0.1056 |
Weighted residual factors for all reflections included in the refinement | 0.1115 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4067493.html
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