Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7035800
Preview
| Coordinates | 7035800.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C74 H48 Co2 N8 O20 |
|---|---|
| Calculated formula | C74 H48 Co2 N8 O20 |
| SMILES | C1(c2c(c(cc(c2)C(=O)O)C(=O)O)c2cc(cc(c2)C(=O)[O-])C(=O)O)=[O][Co]23([n]4ccccc4c4[n]2cccc4)([n]2ccccc2c2[n]3cccc2)OC(c2cc(C(=O)O)cc(c2c2cc(cc(c2)C(=O)[O-])C(=O)O)C(=O)O)=[O][Co]23([n]4ccccc4c4[n]2cccc4)([n]2ccccc2c2[n]3cccc2)O1 |
| Title of publication | Biphenyl-2,4,6,3',5'-pentacarboxylic acid as a tecton for six new Co(ii) coordination polymers: pH and N-donor ligand-dependent assemblies, structure diversities and magnetic properties. |
| Authors of publication | Han, Min-Le; Bai, Liang; Tang, Ping; Wu, Xue-Qian; Wu, Ya-Pan; Zhao, Jun; Li, Dong-Sheng; Wang, Yao-Yu |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 33 |
| Pages of publication | 14673 - 14685 |
| a | 12.539 ± 0.007 Å |
| b | 15.879 ± 0.009 Å |
| c | 19.394 ± 0.009 Å |
| α | 90° |
| β | 120.25 ± 0.03° |
| γ | 90° |
| Cell volume | 3336 ± 3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0702 |
| Residual factor for significantly intense reflections | 0.0603 |
| Weighted residual factors for significantly intense reflections | 0.1543 |
| Weighted residual factors for all reflections included in the refinement | 0.1617 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.136 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7035800.cif |
| 211332 | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
7035800.cif |
| 161803 | 2015-10-09 | cif/ Updating files of 7035800, 7035801, 7035802, 7035803, 7035804, 7035805 Original log message: Adding full bibliography for 7035800--7035805.cif. |
7035800.cif |
| 152070 | 2015-07-15 | cif/ Adding structures of 7035800, 7035801, 7035802, 7035803, 7035804, 7035805 via cif-deposit CGI script. |
7035800.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.