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Information card for entry 7204141
Preview
Coordinates | 7204141.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H16 Au2 N8 S8 Se8 |
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Calculated formula | C28 H16 Au2 N8 S8 Se8 |
SMILES | [Au]12([Se]c3c([Se]2)nccn3)[Se]c2nccnc2[Se]1.[Au]12([Se]c3c([Se]1)nccn3)[Se]c1nccnc1[Se]2.S1C(SC=C1)=C1SC=CS1.S1C(SC=C1)=C1SC=CS1 |
Title of publication | Preparation, structural, electrical and magnetic properties of tetrathiafulvalene-Au(pds)2 salts (pds = pyrazine-2,3-diselenolate) |
Authors of publication | Morgado, Jorge; Santos, Isabel C.; Veiros, Luís F.; Rodrigues, César; Henriques, Rui T.; Duarte, M. Teresa; Alcácer, Luís; Almeida, Manuel |
Journal of publication | Journal of Materials Chemistry |
Year of publication | 2001 |
Journal volume | 11 |
Journal issue | 9 |
Pages of publication | 2108 |
a | 9.2248 ± 0.0015 Å |
b | 14.095 ± 0.002 Å |
c | 17.05 ± 0.002 Å |
α | 92.524 ± 0.01° |
β | 105.622 ± 0.009° |
γ | 101.51° |
Cell volume | 2080.8 ± 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 | 0.1838 |
Residual factor for significantly intense reflections | 0.0714 |
Weighted residual factors for significantly intense reflections | 0.1506 |
Weighted residual factors for all reflections included in the refinement | 0.2207 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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