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Information card for entry 4076391
Preview
Coordinates | 4076391.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H23 N2 O2 P W |
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Calculated formula | C15 H23 N2 O2 P W |
SMILES | [W]1234([P](C)(C)C)([cH]5[cH]4[cH]3[cH]2[cH]15)(C#[O])C#[O].n1(c[n+](cc1)C)C |
Title of publication | Facile Thermal W‒W Bond Homolysis in the N-Heterocyclic Carbene Containing Tungsten Dimer [CpW(CO)2(IMe)]2 |
Authors of publication | van der Eide, Edwin F.; Liu, Tianbiao; Camaioni, Donald M.; Walter, Eric D.; Bullock, R. Morris |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 5 |
Pages of publication | 1775 |
a | 8.3961 ± 0.0004 Å |
b | 24.1322 ± 0.0015 Å |
c | 9.1451 ± 0.0005 Å |
α | 90° |
β | 111.076 ± 0.002° |
γ | 90° |
Cell volume | 1728.99 ± 0.17 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0121 |
Residual factor for significantly intense reflections | 0.012 |
Weighted residual factors for significantly intense reflections | 0.0277 |
Weighted residual factors for all reflections included in the refinement | 0.0278 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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