Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7219872
Preview
| Coordinates | 7219872.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H24 Ba2 Cl2 Co N4 O18 |
|---|---|
| Calculated formula | C12 H24 Ba2 Cl2 Co N4 O18 |
| SMILES | c1[n]2[Co]3(OC(c2c(C(=O)[O-])nc1)=O)([OH2])([n]1ccnc(c1C(=O)O3)C(=O)[O-])[OH2].O.O.O.O.[Cl-].O.O.O.O.[Ba+2].[Ba+2].[Cl-] |
| Title of publication | Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties |
| Authors of publication | Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 17 |
| Pages of publication | 3312 |
| a | 6.6953 ± 0.0004 Å |
| b | 7.6428 ± 0.0005 Å |
| c | 14.0935 ± 0.0008 Å |
| α | 96.583 ± 0.001° |
| β | 95.129 ± 0.001° |
| γ | 96.171 ± 0.001° |
| Cell volume | 708.48 ± 0.07 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0197 |
| Residual factor for significantly intense reflections | 0.019 |
| Weighted residual factors for significantly intense reflections | 0.0468 |
| Weighted residual factors for all reflections included in the refinement | 0.0472 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180529 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/98. |
7219872.cif |
| 138568 | 2015-06-07 | cif/ Updating files of 7219869, 7219870, 7219871, 7219872, 7219873, 7219874, 7219875, 7219876, 7219877, 7219878 Original log message: Adding full bibliography for 7219869--7219878.cif. |
7219872.cif |
| 133904 | 2015-03-14 | cif/ Adding structures of 7219869, 7219870, 7219871, 7219872, 7219873, 7219874, 7219875, 7219876, 7219877, 7219878 via cif-deposit CGI script. |
7219872.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.