Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4327303
Preview
| Coordinates | 4327303.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H104 Mo8 N10 Na2 O74 P8 S2 |
|---|---|
| Calculated formula | C4 H8 Mo8 Na2 O70 P8 S2 |
| SMILES | [Mo]1234(OP5(=O)O[Mo]678(O[Mo]9%10(OP%11(=O)O[Mo]%12%13(OP(=O)(O9)C%11)(O[Mo]9%11(OP%14(=O)O[Mo]%15%16%17(O[Mo]%18%19(OP%20(=O)O[Mo]([O]%18=S%18[O]%16[Na]%16([O]%17P(=O)(C%14)[O]9%16)([OH2])([O]%11S(=[O]%10%13)[O]8[Na]8([O]1P(=O)([O]68)C5)([O]3%18)([OH2])[OH2])[OH2])(OP(=O)(O%20)C%19)(O2)(O4)=O)(O%15)=O)=O)(O%12)=O)=O)(O7)=O)=O)=O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O |
| Title of publication | Synthesis and Characterization of Octa- and Hexanuclear Polyoxomolybdate Wheels: Role of the Inorganic Template and of the Counterion |
| Authors of publication | Anne Dolbecq; Laurent Lisnard; Pierre Mialane; Jérôme Marrot; Marc Bénard; Marie-Madeleine Rohmer; Francis Sécheresse |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Pages of publication | 5898 - 5910 |
| a | 9.6783 ± 0.0002 Å |
| b | 14.2098 ± 0.0002 Å |
| c | 14.3744 ± 0.0002 Å |
| α | 95.289 ± 0.001° |
| β | 95.533 ± 0.001° |
| γ | 96.213 ± 0.001° |
| Cell volume | 1945.55 ± 0.06 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1127 |
| Residual factor for significantly intense reflections | 0.0755 |
| Weighted residual factors for significantly intense reflections | 0.1902 |
| Weighted residual factors for all reflections included in the refinement | 0.2153 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179376 (current) | 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 4/32/73. |
4327303.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4327303.cif |
| 61019 | 2012-06-20 | cif/ Adding structures of 4327303 via cif-deposit CGI script. |
4327303.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.