Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2021797
Preview
Coordinates | 2021797.cif |
---|---|
Structure factors | 2021797.hkl |
Original IUCr paper | HTML |
Chemical name | Poly[(μ~2~-2,2'-biimidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^)(μ~4~-cyanido-κ^4^<i>C</i>:<i>C</i>:<i>N</i>:<i>N</i>)(μ~2~-cyanido-κ^2^<i>C</i>:<i>N</i>)dicopper(I)] |
---|---|
Formula | C8 H6 Cu2 N6 |
Calculated formula | C8 H6 Cu2 N6 |
Title of publication | A novel three-dimensional copper(I) cyanide coordination polymer constructed from various bridging ligands: synthesis, crystal structure and characterization |
Authors of publication | Qin, Ying-Lian; Sun, Hong; Jing, Yan; Jiang, Xiu-Ping; Wang, Gao-Feng; Qin, Jian-Fang |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2019 |
Journal volume | 75 |
Journal issue | 11 |
a | 16.687 ± 0.004 Å |
b | 4.5071 ± 0.0008 Å |
c | 13.933 ± 0.003 Å |
α | 90° |
β | 114.21 ± 0.03° |
γ | 90° |
Cell volume | 955.7 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0681 |
Residual factor for significantly intense reflections | 0.0567 |
Weighted residual factors for significantly intense reflections | 0.1562 |
Weighted residual factors for all reflections included in the refinement | 0.1636 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.213 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
219511 (current) | 2019-10-25 | cif/ hkl/ Adding structures of 2021797 via cif-deposit CGI script. |
2021797.cif 2021797.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.