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Information card for entry 7102658
Preview
Coordinates | 7102658.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | o-Me2-TTF(PPh2)2(Mo(CO)4) |
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Formula | C36 H26 Mo O4 P2 S4 |
Calculated formula | C36 H26 Mo O4 P2 S4 |
SMILES | [Mo]1([P](C2=C(SC(=C3SC(=C(S3)C)C)S2)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O] |
Title of publication | First cation radical salt of a tetrathiafulvalene-based phosphine metal complex. |
Authors of publication | Avarvari, Narcis; Fourmigué, Marc |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2004 |
Journal issue | 11 |
Pages of publication | 1300 - 1301 |
a | 12.821 ± 0.001 Å |
b | 18.266 ± 0.002 Å |
c | 18.629 ± 0.002 Å |
α | 114.96 ± 0.01° |
β | 105.5 ± 0.01° |
γ | 95.5 ± 0.01° |
Cell volume | 3701.1 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0874 |
Residual factor for significantly intense reflections | 0.0371 |
Weighted residual factors for significantly intense reflections | 0.0548 |
Weighted residual factors for all reflections included in the refinement | 0.0623 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.767 |
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/7102658.html
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