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Information card for entry 7027203
Preview
Coordinates | 7027203.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [TTF(CH~2~OH)~4~]^2^Mo~6~O~19~ |
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Chemical name | Bis[tetrakis-3,4,3',4'-(hydroxymethyl)tetrathiafulvalenium] nonadecaoxohexamolybdate(VI) |
Formula | C20 H24 Mo6 O27 S8 |
Calculated formula | C20 H24 Mo6 O27 S8 |
SMILES | O=[Mo]1234O[Mo]567(=O)O[Mo]89%10(=O)O[Mo]%11(O1)(=O)([O]258[Mo](=O)(O[Mo](=O)(O9)(O3)O%11)(O4)(O%10)O6)O7.C1(=C(CO)SC(S1)=C1SC(=C(CO)S1)CO)CO.S1C(SC(=C1CO)CO)=C1SC(=C(CO)S1)CO |
Title of publication | Relative basicities of the oxygen atoms of the Linquist polyoxometalate [Mo6O19]2− and their recognition by hydroxyl groups in radical cation salts based on functionalized tetrathiafulvalene π donors |
Authors of publication | Dolbecq, Anne; Guirauden, Aude; Fourmigué, Marc; Boubekeur, Kamal; Batail, Patrick; Rohmer, Marie-Madeleine; Bénard, Marc; Coulon, Claude; Sallé, Marc; Blanchard, Philippe |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1999 |
Journal issue | 8 |
Pages of publication | 1241 |
a | 8.668 ± 0.002 Å |
b | 10.862 ± 0.002 Å |
c | 11.478 ± 0.002 Å |
α | 69.58 ± 0.03° |
β | 83.28 ± 0.03° |
γ | 77 ± 0.03° |
Cell volume | 985.9 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0445 |
Residual factor for significantly intense reflections | 0.0247 |
Weighted residual factors for all reflections | 0.0446 |
Weighted residual factors for significantly intense reflections | 0.0403 |
Goodness-of-fit parameter for all reflections | 0.89 |
Goodness-of-fit parameter for significantly intense reflections | 0.962 |
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/7027203.html
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