Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7018023
Preview
| Coordinates | 7018023.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H35 Cu N5 O19 W6 |
|---|---|
| Calculated formula | C18 H33 Cu N5 O19 W6 |
| SMILES | C1C[N]2=C(CC(C)(C)[NH]3CC[N]4=C(CC(C)(C)[NH]1[Cu]234[N]#CC)C)C.O=[W]1234O[W]567(=O)O[W]89(O3)(=O)O[W]3%10(O6)(=O)O[W]6(O1)(=O)(O8)O[W](O2)(O5)(O3)(=O)[O]479%106 |
| Title of publication | Spontaneous resolution through helical association of a Cu-azamacrocyclic complex with Lindqvist-type isopolyanion. |
| Authors of publication | Sarma, Monima; Chatterjee, Tanmay; Vindhya, Hanumanthugari; Das, Samar K. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 6 |
| Pages of publication | 1862 - 1866 |
| a | 11.043 ± 0.0009 Å |
| b | 15.0977 ± 0.0012 Å |
| c | 20.7375 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3457.4 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0331 |
| Residual factor for significantly intense reflections | 0.0285 |
| Weighted residual factors for significantly intense reflections | 0.0533 |
| Weighted residual factors for all reflections included in the refinement | 0.0547 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179884 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/80. |
7018023.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7018023.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7018023.cif |
| 33497 | 2012-02-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7018023, 7018024, 7018025 via cif-deposit CGI script. |
7018023.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.