Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7205824
Preview
Coordinates | 7205824.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H12 Cl2 Cu N6 |
---|---|
Calculated formula | C14 H12 Cl2 Cu N6 |
Title of publication | Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands |
Authors of publication | Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 8 |
Pages of publication | 2890 |
a | 7.7004 ± 0.0014 Å |
b | 9.5195 ± 0.0018 Å |
c | 11.112 ± 0.002 Å |
α | 79.404 ± 0.003° |
β | 86.652 ± 0.003° |
γ | 80.058 ± 0.003° |
Cell volume | 788.3 ± 0.3 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 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 | 0.062 |
Residual factor for significantly intense reflections | 0.0453 |
Weighted residual factors for significantly intense reflections | 0.1075 |
Weighted residual factors for all reflections included in the refinement | 0.116 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180389 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/58. |
7205824.cif |
120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205824.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205824.cif |
21022 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7205821, 7205822, 7205823, 7205824, 7205825, 7205826 via cif-deposit CGI script. |
7205824.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.