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Information card for entry 4332198
Preview
Coordinates | 4332198.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C84 H70 Cu6 N8 P2 S6 W2 |
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Calculated formula | C84 H70 Cu6 N8 P2 S6 W2 |
SMILES | C1#[N][Cu]23(C#N)[S]4[W]56789%10%113([c]3([c]5([c]6([c]8([c]73C)C)C)C)C)[S]2[Cu]9(C#N)[S]%11[Cu]4%10C#[N][Cu]23([S]4[W]56789%10%112([c]2([c]6([c]5([c]8([c]72C)C)C)C)C)[S]([Cu]149)[Cu]%11(C#N)[S]3%10)C#N.n1ccc(cc1)c1ccncc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Construction of [(η5-C5Me5)WS3Cu3]-Based Supramolecular Compounds from Preformed Incomplete Cubane-Like Clusters [PPh4][(η5-C5Me5)WS3(CuX)3] (X = CN, Br) |
Authors of publication | Xu, Qing-Feng; Chen, Jin-Xiang; Zhang, Wen-Hua; Ren, Zhi-Gang; Li, Hong-Xi; Zhang, Yong; Lang, Jian-Ping |
Journal of publication | Inorganic Chemistry |
Year of publication | 2006 |
Journal volume | 45 |
Journal issue | 10 |
Pages of publication | 4055 - 4064 |
a | 9.964 ± 0.002 Å |
b | 14.49 ± 0.003 Å |
c | 16.071 ± 0.003 Å |
α | 78.13 ± 0.03° |
β | 83.88 ± 0.03° |
γ | 77.82 ± 0.03° |
Cell volume | 2214.7 ± 0.8 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0696 |
Residual factor for significantly intense reflections | 0.0633 |
Weighted residual factors for significantly intense reflections | 0.1686 |
Weighted residual factors for all reflections included in the refinement | 0.172 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.138 |
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/4332198.html
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