Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7024681
Preview
Coordinates | 7024681.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H70 Cu2 N2 O10 |
---|---|
Calculated formula | C50 H70 Cu2 N2 O10 |
SMILES | CC(C)(C)C1=CC2c3cc(ccc3)C3C=C(O[Cu]4([N]5(CCOCC5)C)(OC(C(C)(C)C)=CC(c5cc(ccc5)C5C=C(O[Cu](O1)([O]=2)([N]1(CCOCC1)C)[O]=5)C(C)(C)C)=[O]4)[O]=3)C(C)(C)C |
Title of publication | New discrete and polymeric supramolecular architectures derived from dinuclear Co(II), Ni(II) and Cu(II) complexes of aryl-linked bis-beta-diketonato ligands and nitrogen bases: synthetic, structural and high pressure studies. |
Authors of publication | Clegg, Jack K.; Hayter, Michael J.; Jolliffe, Katrina A.; Lindoy, Leonard F.; McMurtrie, John C.; Meehan, George V.; Neville, Suzanne M.; Parsons, Simon; Tasker, Peter A.; Turner, Peter; White, Fraser J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2010 |
Journal volume | 39 |
Journal issue | 11 |
Pages of publication | 2804 - 2815 |
a | 6.9932 ± 0.0011 Å |
b | 11.2678 ± 0.0018 Å |
c | 16.466 ± 0.007 Å |
α | 83.88 ± 0.02° |
β | 84.62 ± 0.02° |
γ | 73.405 ± 0.011° |
Cell volume | 1233.6 ± 0.6 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Ambient diffracton pressure | 186000 kPa |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1134 |
Residual factor for significantly intense reflections | 0.0891 |
Weighted residual factors for all reflections | 0.1182 |
Weighted residual factors for significantly intense reflections | 0.0992 |
Weighted residual factors for all reflections included in the refinement | 0.1182 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1686 |
Diffraction radiation wavelength | 0.492 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7024681.html
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.