Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2021270
Preview
Coordinates | 2021270.cif |
---|---|
Structure factors | 2021270.hkl |
Original IUCr paper | HTML |
Chemical name | Poly[diaquatris[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^2^<i>O</i>:<i>O</i>']terbium(III)] |
---|---|
Formula | C36 H25 N6 O14 Tb |
Calculated formula | C36 H25 N6 O14 Tb |
Title of publication | Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand |
Authors of publication | Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2018 |
Journal volume | 74 |
Journal issue | 11 |
a | 14.962 ± 0.002 Å |
b | 14.962 ± 0.002 Å |
c | 27.974 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 5423.3 ± 1.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 169 |
Hermann-Mauguin space group symbol | P 61 |
Hall space group symbol | P 61 |
Residual factor for all reflections | 0.0551 |
Residual factor for significantly intense reflections | 0.0477 |
Weighted residual factors for significantly intense reflections | 0.1121 |
Weighted residual factors for all reflections included in the refinement | 0.115 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
211523 (current) | 2018-10-18 | cif/ hkl/ Adding structures of 2021263, 2021264, 2021265, 2021266, 2021267, 2021268, 2021269, 2021270 via cif-deposit CGI script. |
2021270.cif 2021270.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.