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Information card for entry 7114245
Preview
Coordinates | 7114245.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H11 F N5 Ni S4 |
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Calculated formula | C20 H11 F N5 Ni S4 |
SMILES | [Ni]12(SC(=C(S1)C#N)C#N)SC(=C(S2)C#N)C#N.Fc1ccc(C[n+]2ccccc2)cc1 |
Title of publication | Peculiar magnetic behavior in ion-pair complex [1-(4???-fluorobenzyl)pyridinium][Ni(mnt)2] (mnt2??? = maleonitriledithiolate)Electronic supplementary information (ESI) available: experimental details; crystal data, atomic coordinates, ORTEP view, side view of cation chain, ??M vs. T plot for 2. See http://www.rsc.org/suppdata/cc/b2/b205441h/ |
Authors of publication | Xie, Jingli; Ren, Xiaoming; Song, You; Zhang, Wenwei; Liu, Wenlong; He, Cheng; Meng, Qingjin |
Journal of publication | Chemical Communications |
Year of publication | 2002 |
Journal issue | 20 |
Pages of publication | 2346 |
a | 12.15 ± 0.0004 Å |
b | 25.9523 ± 0.0006 Å |
c | 7.3397 ± 0.0003 Å |
α | 90° |
β | 101.74° |
γ | 90° |
Cell volume | 2265.94 ± 0.13 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0994 |
Residual factor for significantly intense reflections | 0.0619 |
Weighted residual factors for significantly intense reflections | 0.1535 |
Weighted residual factors for all reflections included in the refinement | 0.1804 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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