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Information card for entry 4087284
Preview
Coordinates | 4087284.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H28 Fe2 N O5 P S3 |
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Calculated formula | C29 H28 Fe2 N O5 P S3 |
SMILES | N1(C[S]2[Fe]3([Fe]2([S]3C1)(C#[O])(C#[O])C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O])CCCSC |
Title of publication | A New Route to the Synthesis of Phosphine-Substituted Diiron Aza- and Oxadithiolate Complexes |
Authors of publication | He, Jiao; Deng, Cheng-Long; Li, Yao; Li, Yu-Long; Wu, Yu; Zou, Li-Ke; Mu, Chao; Luo, Qiang; Xie, Bin; Wei, Jian; Hu, Jing-Wen; Zhao, Pei-Hua; Zheng, Wen |
Journal of publication | Organometallics |
Year of publication | 2017 |
Journal volume | 36 |
Journal issue | 7 |
Pages of publication | 1322 |
a | 9.7762 ± 0.001 Å |
b | 11.2492 ± 0.0011 Å |
c | 16.6535 ± 0.0017 Å |
α | 92.112 ± 0.001° |
β | 106.397 ± 0.001° |
γ | 115.604 ± 0.001° |
Cell volume | 1557.5 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0276 |
Residual factor for significantly intense reflections | 0.0232 |
Weighted residual factors for significantly intense reflections | 0.0537 |
Weighted residual factors for all reflections included in the refinement | 0.056 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4087284.html
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Users of the data should acknowledge the original authors of the
structural data.