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Information card for entry 4327376
Preview
Coordinates | 4327376.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H11 Br N5 Pt S4 |
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Calculated formula | C20 H11 Br N5 Pt S4 |
SMILES | [Pt]12(SC(=C(S2)C#N)C#N)SC(=C(S1)C#N)C#N.Brc1ccc(C[n+]2ccccc2)cc1 |
Title of publication | Ionic Pair Complexes with Well-Separated Columnar Stack Structure Based on [Pt(mnt)2]- Ions Showing Unusual Magnetic Transition: Syntheses, Crystal Structures, and Magnetic Properties |
Authors of publication | X. M. Ren; H. Okudera; R. K. Kremer; Y. Song; C. He; Q. J. Meng; P. H. Wu |
Journal of publication | Inorganic Chemistry |
Year of publication | 2004 |
Journal volume | 43 |
Pages of publication | 2569 - 2576 |
a | 7.2682 ± 0.0015 Å |
b | 12.249 ± 0.002 Å |
c | 26.612 ± 0.005 Å |
α | 87.55 ± 0.03° |
β | 84.86 ± 0.03° |
γ | 75.52 ± 0.03° |
Cell volume | 2284.2 ± 0.8 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0538 |
Residual factor for significantly intense reflections | 0.0385 |
Weighted residual factors for significantly intense reflections | 0.0961 |
Weighted residual factors for all reflections included in the refinement | 0.1018 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.882 |
Diffraction radiation wavelength | 0.71073 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/4327376.html
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