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Information card for entry 4328572
Preview
Coordinates | 4328572.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C80 H132 N3 Ni2 S16 Se8 |
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Calculated formula | C80 H132 N3 Ni2 S16 Se8 |
SMILES | [Se]1C([Se]C(=C1C)C)=C1SC2=C(S[Ni]3(S2)SC2=C(S3)SC(=C3[Se]C(=C([Se]3)C)C)S2)S1.[Se]1C([Se]C(=C1C)C)=C1SC2=C(S[Ni]3(S2)SC2=C(S3)SC(=C3[Se]C(=C([Se]3)C)C)S2)S1.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC |
Title of publication | Charge Ordering and Carrier Generation by Air Oxidation of a Nickel Complex with Selenium-Containing Extended-Tetrathiafulvalenedithiolate Ligands |
Authors of publication | Hiroyuki Yajima; Biao Zhou; Emiko Fujiwara; Akiko Kobayashi; Hayao Kobayashi |
Journal of publication | Inorganic Chemistry |
Year of publication | 2012 |
Journal volume | 51 |
Pages of publication | 2731 - 2733 |
a | 26.157 ± 0.008 Å |
b | 34.091 ± 0.011 Å |
c | 46.102 ± 0.015 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 41110 ± 2 Å3 |
Cell temperature | 293.1 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for significantly intense reflections | 0.0621 |
Weighted residual factors for all reflections included in the refinement | 0.0755 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.214 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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