Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4346013
Preview
| Coordinates | 4346013.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H40 N2 O18 P6 Zn4 |
|---|---|
| Calculated formula | C17 H39 N2 O18 P6 Zn4 |
| Title of publication | Rational Design of New Bright Luminescent Zinc Diphosphonates with 12-Member Ring Channels |
| Authors of publication | Ruibiao Fu; Xihe Huang; Shengmin Hu; Shengchang Xiang; Xintao Wu |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Pages of publication | 5254 - 5256 |
| a | 10.8658 ± 0.0017 Å |
| b | 16.605 ± 0.002 Å |
| c | 10.3926 ± 0.0016 Å |
| α | 90° |
| β | 103.965 ± 0.002° |
| γ | 90° |
| Cell volume | 1819.7 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.1083 |
| Residual factor for significantly intense reflections | 0.0805 |
| Weighted residual factors for significantly intense reflections | 0.1577 |
| Weighted residual factors for all reflections included in the refinement | 0.1752 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.18 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231125 (current) | 2019-11-21 | cif/ Adding structures of 4346012, 4346013, 4346014 via cif-deposit CGI script. |
4346013.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.