Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4330260
Preview
| Coordinates | 4330260.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H80 Cu4 Gd2 N10 O44 |
|---|---|
| Calculated formula | C60 H68 Cu4 Gd2 N11 O45 |
| SMILES | c1cccc2[n]1[Cu]134[O]5c6c([O](C)[Gd]785([O]1CC2)([O]1CCc2[n](cccc2)[Cu]21([O]8c1c([O]7C)cccc1C=[O]2)[OH2])([O]=N1[O]4[Cu]245[O]=Cc7c8[O]5[Gd]59([O]4CCc4cccc[n]24)([O]2CCc4[n](cccc4)[Cu]42([O]5c2c([O]9C)cccc2C=[O]4)[OH2])([O](c8ccc7)C)([O]=1)([OH2])[OH2])([OH2])[OH2])cccc6C=[O]3.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O |
| Title of publication | Nitrate-Bridged "Pseudo-Double-Propeller"-Type Lanthanide(III)-Copper(II) Heterometallic Clusters: Syntheses, Structures, and Magnetic Properties |
| Authors of publication | Abhijeet K. Chaudhari; Biplab Joarder; Eric Rivière; Guillaume Rogez; Sujit K. Ghosh |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2012 |
| Journal volume | 51 |
| Pages of publication | 9159 - 9161 |
| a | 26.748 ± 0.003 Å |
| b | 17.26 ± 0.002 Å |
| c | 17.711 ± 0.002 Å |
| α | 90° |
| β | 99.168 ± 0.003° |
| γ | 90° |
| Cell volume | 8072.2 ± 1.6 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0701 |
| Residual factor for significantly intense reflections | 0.0489 |
| Weighted residual factors for significantly intense reflections | 0.125 |
| Weighted residual factors for all reflections included in the refinement | 0.1396 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179405 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/02. |
4330260.cif |
| 79511 | 2013-04-05 | cif/ Adding structures of 4330260 via cif-deposit CGI script. |
4330260.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.