Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4329003
Preview
| Coordinates | 4329003.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | K5 O61 Pd15 Se10 |
|---|---|
| Calculated formula | K5 O61 Pd15 Se10 |
| SMILES | [K+].O.[K+].[K+].[K+].O.[K+].O.O.[O]12[Pd]34O[Se]5=[O][Pd]67O[Se]8=[O][Pd]9%10O[Se]%11=[O][Pd]%12%13[O]%14[Pd](O[Se](=[O][Pd]%15%14O[Se]%14=[O][Pd]%162[O]%15[Pd]2(O%14)[O]%14[Pd]%15%17O[Se](=[O][Pd]%18%14[O]%14[Pd]1(O[Se](O%16)=[O]4)O[Se](O%18)=[O][Pd]1%14O[Se]4=[O][Pd]([O]69)(O8)[O]1[Pd]1([O]%15[Pd]([O]%10%13)([O]=[Se](O%17)O1)O%11)O4)O2)O%12)([O]37)O5.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O |
| Title of publication | Cation-Induced Synthesis of New Polyoxopalladates |
| Authors of publication | Zheng-Guo Lin; Bo Wang; Jie Cao; Bao-Kuan Chen; Yuan-Zhe Gao; Ying-Nan Chi; Chong Xu; Xian-Qiang Huang; Ruo-Dan Han; Shuang-Yue Su; Chang-Wen Hu |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2012 |
| Journal volume | 51 |
| Pages of publication | 4435 - 4437 |
| a | 34.428 ± 0.002 Å |
| b | 24.9433 ± 0.0017 Å |
| c | 23.3876 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 20084 ± 2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 63 |
| Hermann-Mauguin space group symbol | C m c m |
| Hall space group symbol | -C 2c 2 |
| Residual factor for all reflections | 0.1086 |
| Residual factor for significantly intense reflections | 0.0653 |
| Weighted residual factors for significantly intense reflections | 0.1922 |
| Weighted residual factors for all reflections included in the refinement | 0.2319 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270822 (current) | 2021-11-23 | cif/4: Fixing Z values and formulae |
4329003.cif |
| 179393 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/90. |
4329003.cif |
| 78043 | 2013-04-01 | cif/ Adding structures of 4329003 via cif-deposit CGI script. |
4329003.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.