Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7209745
Preview
| Coordinates | 7209745.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C134 H104 Co2 Mn2 N20 O10 |
|---|---|
| Calculated formula | C134 H104 Co2 Mn2 N20 O10 |
| SMILES | [Co]123(N(c4c(N1C(=O)c1[n]3cccc1)cccc4)C(=O)c1[n]2cccc1)(C#[N][Mn]123(n4c5=C(c6[n]3c(=C(c3n2c(C(=c2[n]1c(C(=c4cc5)c1ccccc1)cc2)c1ccccc1)cc3)c1ccccc1)cc6)c1ccccc1)[N]#C[Co]123(N(c4c(N1C(=O)c1[n]2cccc1)cccc4)C(=O)c1[n]3cccc1)C#N)C#N.[Mn]123([OH]C)([OH]C)[n]4c5=C(c6ccccc6)c6n3c(C(=c3[n]2c(C(=c2n1c(=C(c4cc5)c1ccccc1)cc2)c1ccccc1)cc3)c1ccccc1)cc6.OC.OC.OC.OC |
| Title of publication | Substituent group tuned tri- and binuclear porphyrin-based cyanide-bridged bimetallic complexes: synthesis, crystal structures and magnetic properties |
| Authors of publication | Zhang, Daopeng; Zhao, Zengdian; Wang, Ping; Ni, Zhonghai |
| Journal of publication | CrystEngComm |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 13 |
| Pages of publication | 2504 |
| a | 15.0704 ± 0.0004 Å |
| b | 19.5784 ± 0.0005 Å |
| c | 20.9873 ± 0.0006 Å |
| α | 70.3 ± 0.001° |
| β | 80.675 ± 0.001° |
| γ | 87.877 ± 0.001° |
| Cell volume | 5751.9 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0624 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.1418 |
| Weighted residual factors for all reflections included in the refinement | 0.1577 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180428 (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 7/20/97. |
7209745.cif |
| 86086 | 2013-05-09 | cif/ Adding structures of 7209744, 7209745, 7209746, 7209747, 7209748, 7209749 via cif-deposit CGI script. |
7209745.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.