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Information card for entry 4506003
Preview
Coordinates | 4506003.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H15 N6 Pt S4 |
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Calculated formula | C21 H15 N6 Pt S4 |
SMILES | [Pt]12(SC(=C(S2)C#N)C#N)SC(=C(S1)C#N)C#N.[n+]1(ccc(N)cc1)Cc1ccc(cc1)C |
Title of publication | Crystalline Phase Selections in a [Pt(mnt)2]−Ion-Pair Compound Using Solvents |
Authors of publication | Pei, Wen-Bo; Wu, Jian-Sheng; Ning, Wei-Hua; Ren, Xiao-Ming; Tian, Zheng-Fang; Sui, Yun-Xia |
Journal of publication | Crystal Growth & Design |
Year of publication | 2012 |
Journal volume | 12 |
Journal issue | 5 |
Pages of publication | 2419 |
a | 4.4886 ± 0.0008 Å |
b | 15.7 ± 0.003 Å |
c | 18.55 ± 0.003 Å |
α | 82.203 ± 0.002° |
β | 85.751 ± 0.002° |
γ | 83.013 ± 0.002° |
Cell volume | 1283.3 ± 0.4 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 | 0.0538 |
Residual factor for significantly intense reflections | 0.0374 |
Weighted residual factors for significantly intense reflections | 0.0946 |
Weighted residual factors for all reflections included in the refinement | 0.1018 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
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/4506003.html
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