Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1551101
Preview
| Coordinates | 1551101.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C95 H147 N17 O15 P |
|---|---|
| Calculated formula | C95 H102 N17 O15 P |
| Title of publication | Construction and interconversion of anion-coordination-based (‘aniono’) grids and double helicates modulated by counter-cations |
| Authors of publication | Fan, Xiaoxia; Zhang, Dan; Jiang, Shiyu; Wang, Heng; Lin, Lin-Ting; Zheng, Bo; Xu, Wen-Hua; Zhao, Yanxia; Hay, Benjamin P.; Chan, Yi-Tsu; Yang, Xiao-Juan; Li, Xiaopeng; Wu, Biao |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 22.5953 ± 0.0016 Å |
| b | 26.3348 ± 0.0018 Å |
| c | 19.0456 ± 0.0012 Å |
| α | 90° |
| β | 103.18 ± 0.004° |
| γ | 90° |
| Cell volume | 11034.4 ± 1.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.1703 |
| Residual factor for significantly intense reflections | 0.1108 |
| Weighted residual factors for significantly intense reflections | 0.272 |
| Weighted residual factors for all reflections included in the refinement | 0.3009 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215430 (current) | 2019-05-23 | cif/ Adding structures of 1551100, 1551101, 1551102 via cif-deposit CGI script. |
1551101.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.