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Information card for entry 7234203
Preview
Coordinates | 7234203.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H38 N12 Ni2 O11 S8 |
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Calculated formula | C36 H38 N12 Ni2 O11 S8 |
Title of publication | Coordination-induced conformation diversity for pharmaceutical polymorph control |
Authors of publication | Kang, Juan; Wang, Yongli; Chen, Yifu; Huang, Xin; Yin, Qiuxiang; Wang, Na; Hao, Hongxun |
Journal of publication | CrystEngComm |
Year of publication | 2019 |
Journal volume | 21 |
Journal issue | 43 |
Pages of publication | 6585 |
a | 12.0094 ± 0.0004 Å |
b | 12.8836 ± 0.0006 Å |
c | 17.3263 ± 0.0007 Å |
α | 90° |
β | 92.444 ± 0.004° |
γ | 90° |
Cell volume | 2678.36 ± 0.19 Å3 |
Cell temperature | 159.99 ± 0.1 K |
Ambient diffraction temperature | 159.99 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/n 1 |
Hall space group symbol | -P 2yac |
Residual factor for all reflections | 0.1173 |
Residual factor for significantly intense reflections | 0.0799 |
Weighted residual factors for significantly intense reflections | 0.1988 |
Weighted residual factors for all reflections included in the refinement | 0.2335 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.978 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7234203.html
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Users of the data should acknowledge the original authors of the
structural data.