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Information card for entry 4332197
Preview
Coordinates | 4332197.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H40 Cl Cu3 N3 P S3 W |
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Calculated formula | C41 H40 Cl Cu3 N3 P S3 W |
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 | 21.532 ± 0.004 Å |
b | 14.132 ± 0.003 Å |
c | 14.589 ± 0.003 Å |
α | 90° |
β | 104.3 ± 0.03° |
γ | 90° |
Cell volume | 4301.7 ± 1.6 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 8 |
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 | 0.134 |
Residual factor for significantly intense reflections | 0.1028 |
Weighted residual factors for significantly intense reflections | 0.2141 |
Weighted residual factors for all reflections included in the refinement | 0.2296 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.224 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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