Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4502673
Preview
| Coordinates | 4502673.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H50 Mo7 N10 O32 Zn |
|---|---|
| Calculated formula | C25 H25 Mo7 N10 O32 Zn |
| SMILES | [Mo]123(O[Zn]([OH2])([OH2])([OH2])([OH2])[n]4cc(ccc4)N)(=O)O[Mo]45([O]61[Mo]1(O3)(O[Mo]37(O[Mo]89(=O)(=O)[O]%103[Mo](O8)(O4)([O]5[Mo]6%10(O2)([O]17)O9)(=O)=O)(=O)=O)(=O)=O)(=O)=O.O.O.O.O.c1c(ccc[nH+]1)N.c1c(cccn1)N.c1(c[nH+]ccc1)N.c1(c[nH+]ccc1)N |
| Title of publication | Polyoxometalate Supported Transition Metal Complexes: Synthesis, Crystal Structures, and Supramolecular Chemistry |
| Authors of publication | Arumuganathan, T.; Rao, A. Srinivasa; Das, Samar K. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2010 |
| Journal volume | 10 |
| Journal issue | 10 |
| Pages of publication | 4272 |
| a | 18.328 ± 0.004 Å |
| b | 13.624 ± 0.003 Å |
| c | 20.406 ± 0.004 Å |
| α | 90° |
| β | 96.377 ± 0.003° |
| γ | 90° |
| Cell volume | 5063.9 ± 1.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.019 |
| Residual factor for significantly intense reflections | 0.0188 |
| Weighted residual factors for significantly intense reflections | 0.0494 |
| Weighted residual factors for all reflections included in the refinement | 0.0495 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179557 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/26. |
4502673.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4502673.cif |
| 36509 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 4502673 via cif-deposit CGI script. |
4502673.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.