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Information card for entry 4321253
Preview
Coordinates | 4321253.cif |
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Original paper (by DOI) | HTML |
Formula | C13 H9 Br2 Cu N S9 |
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Calculated formula | C13 H9 Br2 Cu N S9 |
SMILES | Br[Cu](Br)[S]=C1C(SC(S1)=C1SC2=C(SCCS2)S1)=C1SC=CS1.N#CC |
Title of publication | 1:1 Complexes of Dimethylthio- and Ethylenedithio-tetrathiafulvalenothioquinone- 1,3-dithiolemethides with CuBr2 as a New Type of π/d Molecular System |
Authors of publication | Masaki Iwamatsu; Tsuyoshi Kominami; Kazumasa Ueda; Toyonari Sugimoto; Tomohiro Adachi; Hideo Fujita; Harukazu Yoshino; Yoshiyuki Mizuno; Keizo Murata; Motoo Shiro |
Journal of publication | Inorganic Chemistry |
Year of publication | 2000 |
Journal volume | 39 |
Pages of publication | 3810 - 3815 |
a | 7.451 ± 0.001 Å |
b | 24.964 ± 0.003 Å |
c | 11.983 ± 0.002 Å |
α | 90° |
β | 99.9 ± 0.01° |
γ | 90° |
Cell volume | 2195.7 ± 0.5 Å3 |
Cell temperature | 298.2 K |
Ambient diffraction temperature | 298.2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.09 |
Residual factor for significantly intense reflections | 0.054 |
Weighted residual factors for all reflections | 0.1474 |
Weighted residual factors for all reflections included in the refinement | 0.1194 |
Goodness-of-fit parameter for all reflections | 0.957 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.957 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4321253.html
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