Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4345223
Preview
| Coordinates | 4345223.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H48 Co2 Mo N12 O48 Si W11 |
|---|---|
| Calculated formula | C60 H48 Co2 Mo N12 O48 Si W11 |
| SMILES | [Co]123([n]4c(c5[n]1cccc5)cccc4)([n]1c(c4[n]2cccc4)cccc1)[n]1c(c2[n]3cccc2)cccc1.[Co]123([n]4c(c5[n]1cccc5)cccc4)([n]1c(c4[n]2cccc4)cccc1)[n]1c(c2[n]3cccc2)cccc1.[W]1234([O]56[W]78(O1)(O[W]15(O2)(O[W]259([O]%10%11[W]%12(O3)(O[W]3%13(O4)([O]4%14[W]%15(O7)(O3)(O[W]34(O%13)(O[W]%10(O%12)(O2)(O[Mo]247(O[W]%10([O]4([W]2(O%10)(O8)(O%15)(O7)=O)[Si]6%11%14)(O1)(O5)=O)(O3)=O)=O)=O)=O)=O)(O9)=O)=O)=O)=O)=O.O.O.O.O.O.O.O.O |
| Title of publication | Two Unprecedented POM-Based Inorganic-Organic Hybrids with Concomitant Heteropolytungstate and Molybdate. |
| Authors of publication | Li, Yun-Wu; Guo, Ling-Yu; Su, Hai-Feng; Jagodič, Marko; Luo, Ming; Zhou, Xiao-Qi; Zeng, Su-Yuan; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2017 |
| Journal volume | 56 |
| Journal issue | 5 |
| Pages of publication | 2481 - 2489 |
| a | 32.024 ± 0.007 Å |
| b | 13.347 ± 0.003 Å |
| c | 24.53 ± 0.005 Å |
| α | 90° |
| β | 119.695 ± 0.002° |
| γ | 90° |
| Cell volume | 9108 ± 3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298.15 K |
| Number of distinct elements | 8 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0485 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.0852 |
| Weighted residual factors for all reflections included in the refinement | 0.092 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194797 (current) | 2017-04-04 | cif/ Updating files of 4345220, 4345221, 4345222, 4345223, 4345224 Original log message: Adding full bibliography for 4345220--4345224.cif. |
4345223.cif |
| 192199 | 2017-02-17 | cif/ Adding structures of 4345220, 4345221, 4345222, 4345223, 4345224 via cif-deposit CGI script. |
4345223.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.