Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2312596
Preview
Coordinates | 2312596.cif |
---|---|
Structure factors | 2312596.hkl |
Original IUCr paper | HTML |
Chemical name | Poly[diaqua[μ~5~-2,2'-(1,3,5,7-tetraoxo-1,2,3,5,6,7-hexahydropyrrolo[3,4-<i>f</i>]isoindole-2,6-diyl)diacetato]barium(II)] |
---|---|
Formula | C14 H10 Ba N2 O10 |
Calculated formula | C14 H10 Ba N2 O10 |
Title of publication | A new three-dimensional barium(II) coordination polymer constructed from N,N'-bis(glycinyl)pyromellitic diimide: microwave-assisted synthesis, structure, Hirshfeld surface analysis and properties. |
Authors of publication | Ding, Xin Yu; Yu, Hai Yan; Zhang, Hong Tao; Wang, Xiao Long |
Journal of publication | Acta crystallographica. Section C, Structural chemistry |
Year of publication | 2024 |
Journal volume | 80 |
Journal issue | 10 |
a | 7.3856 ± 0.0002 Å |
b | 8.408 ± 0.0002 Å |
c | 14.5603 ± 0.0004 Å |
α | 75.415 ± 0.001° |
β | 76.628 ± 0.001° |
γ | 68.377 ± 0.001° |
Cell volume | 803.76 ± 0.04 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0205 |
Residual factor for significantly intense reflections | 0.0177 |
Weighted residual factors for significantly intense reflections | 0.0402 |
Weighted residual factors for all reflections included in the refinement | 0.0414 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
294356 (current) | 2024-09-04 | cif/ hkl/ Adding structures of 2312596 via cif-deposit CGI script. |
2312596.cif 2312596.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.