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Information card for entry 1568945
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1568945.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C64 H54 B Cl4 F4 Os P3 |
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Calculated formula | C64 H54 B Cl4 F4 Os P3 |
Title of publication | Reshaping aromatic frameworks: expansion of aromatic system drives metallabenzenoids to metallapentalenes. |
Authors of publication | Li, Qian; Fei, Jiawei; Ruan, Kaidong; Hua, Yuhui; Chen, Dafa; Luo, Ming; Xia, Haiping |
Journal of publication | Chemical science |
Year of publication | 2023 |
Journal volume | 14 |
Journal issue | 21 |
Pages of publication | 5672 - 5680 |
a | 10.1361 ± 0.0002 Å |
b | 12.2229 ± 0.0002 Å |
c | 22.8285 ± 0.0004 Å |
α | 93.994 ± 0.001° |
β | 94.966 ± 0.002° |
γ | 95.826 ± 0.002° |
Cell volume | 2794.32 ± 0.09 Å3 |
Cell temperature | 99.98 ± 0.13 K |
Ambient diffraction temperature | 99.98 ± 0.13 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 | 0.0462 |
Residual factor for significantly intense reflections | 0.0434 |
Weighted residual factors for significantly intense reflections | 0.1082 |
Weighted residual factors for all reflections included in the refinement | 0.1097 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/1568945.html
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Users of the data should acknowledge the original authors of the
structural data.