Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7006308
Preview
| Coordinates | 7006308.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C92 H60 Cu8 N20 |
|---|---|
| Calculated formula | C92 H60 Cu8 N20 |
| SMILES | n1c2cccc1c1n3[Cu]456[Cu]7([Cu]896[n]6n%10c(c%11cccc(c%12cc(c%13ccccc%13)[n]%13[Cu]%14%15[n]%16c(cc%17c%18cccc(n%18)c%18n([n]4c(c%18)c4ccccc4)[Cu]4%189n9[n](c(cc9c9nc(ccc9)c9n8[n]7c(c9)c7ccccc7)c7ccccc7)[Cu]7%15(n%12%13)[Cu]%144([n]4n(c2cc4c2ccccc2)[Cu]5%10%187)n%16%17)c2ccccc2)n%11)cc6c2ccccc2)[n]3c(c1)c1ccccc1 |
| Title of publication | Novel neutral octanuclear copper(I) complexes stabilized by pyridine linked bis(pyrazolate) ligands. |
| Authors of publication | Zhou, Yongbo; Chen, Wanzhi |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 44 |
| Pages of publication | 5123 - 5125 |
| a | 23.916 ± 0.015 Å |
| b | 39.8 ± 0.03 Å |
| c | 16.666 ± 0.01 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 15864 ± 18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.1842 |
| Residual factor for significantly intense reflections | 0.0769 |
| Weighted residual factors for significantly intense reflections | 0.1827 |
| Weighted residual factors for all reflections included in the refinement | 0.2268 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.906 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7006308.cif |
| 179767 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/63. |
7006308.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006308.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006308.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7006308.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.