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Information card for entry 4078113
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4078113.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H16 O9 W3 |
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Calculated formula | C31 H16 O9 W3 |
SMILES | [W]1234(C#[O])(C#[O])(C#[O])[c]56[cH]1[cH]2[cH]3[c]45[c]12[W]345(C#[O])(C#[O])(C#[O])[cH]1[cH]3[cH]4[c]25[c]12[W]345(C#[O])(C#[O])(C#[O])([cH]1[cH]3[cH]4[c]625)Cc1ccccc1 |
Title of publication | Trindenyl Trimolybdenum and Tritungsten Complexes: Crystal Structure of (trindenyl)[(OC)3W‒W(CO)3]W(CO)3Bn |
Authors of publication | Lynch, Thomas J.; Carroll, James M.; Helvenston, Merritt C.; Tisch, Theodore L.; Rheingold, Arnold L.; Staley, Donna L.; Mahmoudkhani, Amir |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 8 |
Pages of publication | 3300 |
a | 29.188 ± 0.008 Å |
b | 10.387 ± 0.003 Å |
c | 9.599 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2910.2 ± 1.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n 21 a |
Hall space group symbol | P -2ac -2n |
Residual factor for all reflections | 0.0393 |
Residual factor for significantly intense reflections | 0.0393 |
Weighted residual factors for significantly intense reflections | 0.1132 |
Weighted residual factors for all reflections included in the refinement | 0.1132 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.742 |
Diffraction radiation wavelength | 0.71073 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/4078113.html
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Users of the data should acknowledge the original authors of the
structural data.