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Information card for entry 4519155
Preview
Coordinates | 4519155.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H39 B10 N O3 S |
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Calculated formula | C37 H39 B10 N O3 S |
Title of publication | Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes |
Authors of publication | Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong |
Journal of publication | ACS Catalysis |
Year of publication | 2021 |
Journal volume | 11 |
Journal issue | 22 |
Pages of publication | 14047 - 14057 |
a | 23.4028 ± 0.0015 Å |
b | 10.4909 ± 0.0007 Å |
c | 17.9732 ± 0.0013 Å |
α | 90° |
β | 111.455 ± 0.002° |
γ | 90° |
Cell volume | 4106.9 ± 0.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296.15 K |
Number of distinct elements | 6 |
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 | 0.2007 |
Residual factor for significantly intense reflections | 0.1042 |
Weighted residual factors for significantly intense reflections | 0.2526 |
Weighted residual factors for all reflections included in the refinement | 0.2973 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4519155.html
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structural data.