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Information card for entry 7039245
Preview
Coordinates | 7039245.cif |
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Original paper (by DOI) | HTML |
Formula | C28 H29.44 B O12.72 S16 |
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Calculated formula | C28 H29.436 B O12.718 S16 |
Title of publication | Enantiopure and racemic radical-cation salts of B(malate)2(-) anions with BEDT-TTF. |
Authors of publication | Lopez, Jordan R.; Martin, Lee; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Yamada, Jun-Ichi; Kadoya, Tomofumi; Coles, Simon J.; Wilson, Claire |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 22 |
Pages of publication | 9285 - 9293 |
a | 8.662 ± 0.0004 Å |
b | 11.9323 ± 0.0005 Å |
c | 21.7062 ± 0.0007 Å |
α | 76.855 ± 0.005° |
β | 84.526 ± 0.006° |
γ | 70.436 ± 0.005° |
Cell volume | 2058.13 ± 0.16 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 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 | 0.0623 |
Residual factor for significantly intense reflections | 0.045 |
Weighted residual factors for significantly intense reflections | 0.1125 |
Weighted residual factors for all reflections included in the refinement | 0.1205 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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