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Information card for entry 2004509
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Coordinates | 2004509.cif |
---|---|
Original IUCr paper | HTML |
Formula | C18 H16 Mo O7 W |
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Calculated formula | C18 H16 Mo O7 W |
SMILES | [Mo]1234567(C([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(OCC)[CH]2=[CH2]1)([c]1([cH]4[cH]5[cH]6[cH]71)CC3)C#[O] |
Title of publication | Hexacarbonyl(η^5:1^-2-cyclopentadienediylethyl)(μ-η^1:3^-1-ethoxy-2-propenylidene)molybdenumtungsten |
Authors of publication | Frank, W.; Kreiter, C. G.; Reiß, G. J. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1996 |
Journal volume | 52 |
Journal issue | 2 |
Pages of publication | 356 - 358 |
a | 8.708 ± 0.002 Å |
b | 9.047 ± 0.002 Å |
c | 12.961 ± 0.003 Å |
α | 72.4 ± 0.03° |
β | 84.61 ± 0.03° |
γ | 77.36 ± 0.03° |
Cell volume | 949.3 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0322 |
Residual factor for significantly intense reflections | 0.024 |
Weighted residual factors for all reflections | 0.0495 |
Weighted residual factors for significantly intense reflections | 0.0483 |
Goodness-of-fit parameter for all reflections | 1.625 |
Goodness-of-fit parameter for significantly intense reflections | 1.678 |
Diffraction radiation wavelength | 0.71069 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/2004509.html
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