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Information card for entry 4313406
Preview
Coordinates | 4313406.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Compound X |
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Formula | C53 H52 Cl2 Mo O4 P2 S10 |
Calculated formula | C53 H52 Cl2 Mo O4 P2 S10 |
SMILES | [Mo]([P](c1ccccc1)(c1ccccc1)CCCSC1=C(SC(S1)=C1SC(=C(S1)C)C)C)([P](c1ccccc1)(c1ccccc1)CCCSC1=C(SC(S1)=C1SC(=C(S1)C)C)C)(C#[O])(C#[O])(C#[O])C#[O].ClCCl |
Title of publication | Complexing Ability of the Versatile, Redox-Active, 3-[3-(Diphenylphosphino)propylthio]- -3',4,4'-trimethyl-tetrathiafulvalene Ligand |
Authors of publication | Pascal Pellon; Grégory Gachot; Jérome Le Bris; Stéphane Marchin; Roger Carlier; Dominique Lorcy |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 2056 - 2060 |
a | 12.5784 ± 0.0002 Å |
b | 13.5208 ± 0.0003 Å |
c | 18.6103 ± 0.0005 Å |
α | 85.5664 ± 0.0008° |
β | 73.1536 ± 0.0008° |
γ | 77.222 ± 0.001° |
Cell volume | 2953.91 ± 0.11 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0808 |
Residual factor for significantly intense reflections | 0.0562 |
Weighted residual factors for significantly intense reflections | 0.1504 |
Weighted residual factors for all reflections included in the refinement | 0.1692 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation probe | x-ray |
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/4313406.html
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