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Information card for entry 7052751
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Coordinates | 7052751.cif |
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Original paper (by DOI) | HTML |
Common name | BEDT-Trisphat |
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Formula | C29 H10 Cl14 O6 P S8 |
Calculated formula | C29 H10 Cl14 O6 P S8 |
Title of publication | Radical cation salts of BEDT-TTF, enantiopure tetramethyl-BEDT-TTF, and TTF-Oxazoline (TTF-Ox) donors with the homoleptic TRISPHAT anion |
Authors of publication | Riobé, François; Piron, Flavia; Réthoré, Céline; Madalan, Augustin M.; Gómez-García, Carlos J.; Lacour, Jérôme; Wallis, John D.; Avarvari, Narcis |
Journal of publication | New Journal of Chemistry |
Year of publication | 2011 |
Journal volume | 35 |
Journal issue | 10 |
Pages of publication | 2279 |
a | 12.144 ± 0.0016 Å |
b | 12.7445 ± 0.0016 Å |
c | 15.4458 ± 0.0018 Å |
α | 90.811 ± 0.015° |
β | 103.889 ± 0.015° |
γ | 109.156 ± 0.015° |
Cell volume | 2180.9 ± 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 | 0.1218 |
Residual factor for significantly intense reflections | 0.0481 |
Weighted residual factors for significantly intense reflections | 0.086 |
Weighted residual factors for all reflections included in the refinement | 0.103 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.827 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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