Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2108127
Preview
| Coordinates | 2108127.cif |
|---|---|
| Structure factors | 2108127.hkl |
| Original paper (by DOI) | HTML |
| Common name | complex 4 |
|---|---|
| Formula | C10 H16 Co N0 O12 |
| Calculated formula | C10 H16 Co O12 |
| SMILES | [Co](OC(=O)c1oc(cc1)c1oc(C(=O)[O-])cc1)([OH2])([OH2])([OH2])(OC(=O)c1oc(cc1)c1oc(C(=O)O[Co]([OH2])([OH2])([OH2])[OH2])cc1)[OH2].O.O.O.O |
| Title of publication | Crystal structure and luminescent properties of novel coordination polymers constructed with bifurandicarboxylic acid |
| Authors of publication | Huang, Xianyu; Chen, Daoliang; He, Mingrui; Li, Jianfeng; Huang, Jiawei; Li, Baolin |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 4 |
| Pages of publication | 715 - 721 |
| a | 5.5872 ± 0.0004 Å |
| b | 6.6969 ± 0.0005 Å |
| c | 10.5753 ± 0.0008 Å |
| α | 77.217 ± 0.002° |
| β | 74.884 ± 0.002° |
| γ | 70.434 ± 0.002° |
| Cell volume | 356.02 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0419 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.1093 |
| Weighted residual factors for all reflections included in the refinement | 0.1106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209316 (current) | 2018-07-31 | cif/2/ Updating space group information in entries 2017270, 2017637, 2108124, 2108127, 2015909. |
2108127.cif 2108127.hkl |
| 199398 | 2017-07-29 | cif/ hkl/ Adding structures of 2108124, 2108125, 2108126, 2108127 via cif-deposit CGI script. |
2108127.cif 2108127.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.