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Information card for entry 4519158
Preview
Coordinates | 4519158.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C59 H86 B10 O |
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Calculated formula | C59 H86 B10 O |
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 | 11.646 ± 0.002 Å |
b | 11.847 ± 0.002 Å |
c | 22.42 ± 0.004 Å |
α | 91.159 ± 0.003° |
β | 103.259 ± 0.003° |
γ | 105.903 ± 0.003° |
Cell volume | 2884.2 ± 0.9 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296.15 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.155 |
Residual factor for significantly intense reflections | 0.0775 |
Weighted residual factors for significantly intense reflections | 0.179 |
Weighted residual factors for all reflections included in the refinement | 0.22 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
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/4519158.html
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Users of the data should acknowledge the original authors of the
structural data.