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Information card for entry 4324947
Preview
Coordinates | 4324947.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H13 N6 Pt S4 |
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Calculated formula | C20 H13 N6 Pt S4 |
SMILES | [Pt]12(SC(=C(S1)C#N)C#N)SC(=C(S2)C#N)C#N.c1(cc[n+](cc1)Cc1ccccc1)N |
Title of publication | Stack Pattern of the Countercation-Modulating Magnetic Property of Low-Dimensional [Pt(mnt)2]- Monoanion Spin Systems |
Authors of publication | Wen-Bo Pei; Jian-Sheng Wu; Zheng-Fang Tian; Xiao-Ming Ren; You Song |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 3970 - 3980 |
a | 11.533 ± 0.004 Å |
b | 14.191 ± 0.005 Å |
c | 15.786 ± 0.005 Å |
α | 73.318 ± 0.007° |
β | 74.034 ± 0.007° |
γ | 68.03 ± 0.006° |
Cell volume | 2253.9 ± 1.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0754 |
Residual factor for significantly intense reflections | 0.0396 |
Weighted residual factors for significantly intense reflections | 0.0825 |
Weighted residual factors for all reflections included in the refinement | 0.0926 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.884 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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