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Information card for entry 1553114
Preview
Coordinates | 1553114.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56.25 H52.25 B Cl2.75 F4 N O3 Os P2 |
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Calculated formula | C56.25 H52.25 B Cl2.75 F4 N O3 Os P2 |
SMILES | [CH]12=[CH]3CC(=[O][Os]23([NH]=C(C(=C1[P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)Cl)c1ccccc1.[F-][B](F)(F)F.C(Cl)(Cl)Cl.O.O |
Title of publication | Reactions of osmapyridinium with terminal alkynes |
Authors of publication | Wei, Yuanqing; Zhou, Xiaoxi; Hong, Guangning; Chen, Zhixin; Zhang, Hong; Xia, Haiping |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2015 |
Journal volume | 2 |
Journal issue | 5 |
Pages of publication | 560 |
a | 11.9299 ± 0.0003 Å |
b | 14.1946 ± 0.0003 Å |
c | 33.0235 ± 0.0007 Å |
α | 90° |
β | 98.576 ± 0.001° |
γ | 90° |
Cell volume | 5529.7 ± 0.2 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 9 |
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 | 0.0694 |
Residual factor for significantly intense reflections | 0.0566 |
Weighted residual factors for significantly intense reflections | 0.1635 |
Weighted residual factors for all reflections included in the refinement | 0.172 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
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/1553114.html
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