Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2022381
Preview
Coordinates | 2022381.cif |
---|---|
Structure factors | 2022381.hkl |
Original paper (by DOI) | HTML |
Chemical name | Poly[[diaqua[μ~6~-5,5'-methylenebis(2,4,6-trimethylbenzene-1,3-dicarboxylato)]dilead(II)] 2.5-hydrate] |
---|---|
Formula | C23 H29 O12.5 Pb2 |
Calculated formula | C23 H20 O10 Pb2 |
Title of publication | Novel Ba^2+^ and Pb^2+^ metal‒organic frameworks based on a semi-rigid tetracarboxylic acid: syntheses, structures, topologies and luminescence properties |
Authors of publication | Sun, Yanwen; Chen, Zhen; Wang, Xiaozhong; Wang, Lei; Yang, Xue; Liang, Xiaoting; Fan, Shuangshuang; Zhang, Peiran |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2021 |
Journal volume | 77 |
Journal issue | 6 |
Pages of publication | 291 - 298 |
a | 11.607 ± 0.005 Å |
b | 14.951 ± 0.006 Å |
c | 15.017 ± 0.006 Å |
α | 90° |
β | 100.287 ± 0.007° |
γ | 90° |
Cell volume | 2564.1 ± 1.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1295 |
Residual factor for significantly intense reflections | 0.0623 |
Weighted residual factors for significantly intense reflections | 0.1481 |
Weighted residual factors for all reflections included in the refinement | 0.1653 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.902 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
267274 (current) | 2021-07-06 | cif/ Updating files of 2022381, 2022382 Original log message: Adding full bibliography for 2022381--2022382.cif. |
2022381.cif 2022381.hkl |
265535 | 2021-05-27 | cif/ hkl/ Adding structures of 2022381, 2022382 via cif-deposit CGI script. |
2022381.cif 2022381.hkl |
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.