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Information card for entry 7053309
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Coordinates | 7053309.cif |
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Original paper (by DOI) | HTML |
Common name | cis-dicarbonylchloro((4-methylphenyl)methylidyne)-cis- bis(pyridine)tungsten |
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Chemical name | cis-dicarbonylchloro[(4-methylphenyl)methylidyne]- cis-bis(pyridine)tungsten |
Formula | C20 H17 Cl N2 O2 W |
Calculated formula | C20 H17 Cl N2 O2 W |
SMILES | [W](Cl)([n]1ccccc1)(#Cc1ccc(cc1)C)([n]1ccccc1)(C#[O])C#[O] |
Title of publication | Fischer-type tungsten acyl (carbeniate), carbene and carbyne complexes bearing C5-attached thiazolyl substituents: interaction with gold(i) fragments |
Authors of publication | Strasser, Christoph E.; Cronje, Stephanie; Raubenheimer, Helgard G. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2010 |
Journal volume | 34 |
Journal issue | 3 |
Pages of publication | 458 |
a | 26.655 ± 0.004 Å |
b | 7.1269 ± 0.0011 Å |
c | 23.559 ± 0.004 Å |
α | 90° |
β | 121.419 ± 0.002° |
γ | 90° |
Cell volume | 3819.2 ± 1.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0586 |
Residual factor for significantly intense reflections | 0.05 |
Weighted residual factors for significantly intense reflections | 0.1295 |
Weighted residual factors for all reflections included in the refinement | 0.1349 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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