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Information card for entry 2236603
Preview
Coordinates | 2236603.cif |
---|---|
Structure factors | 2236603.hkl |
Original IUCr paper | HTML |
Chemical name | Tetrakis(μ-2-phenylquinoline-4-carboxylato- κ^2^<i>O</i>:<i>O</i>')bis[(methanol-κ<i>O</i>)copper(II)] |
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Formula | C66 H48 Cu2 N4 O10 |
Calculated formula | C66 H48 Cu2 N4 O10 |
SMILES | c1(c2c(cccc2)nc(c1)c1ccccc1)C1=[O][Cu]234([O]=C(c5c6c(cccc6)nc(c5)c5ccccc5)O[Cu]4(O1)([O]=C(c1c4c(nc(c1)c1ccccc1)cccc4)O2)([O]=C(O3)c1c2c(nc(c1)c1ccccc1)cccc2)[OH]C)[OH]C |
Title of publication | Tetrakis(μ-2-phenylquinoline-4-carboxylato-κ^2^<i>O</i>:<i>O</i>')bis[(methanol-κ<i>O</i>)copper(II)] |
Authors of publication | Guo, Junfang; Yan, Guoping |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 10 |
Pages of publication | m1296 |
a | 8.9671 ± 0.0006 Å |
b | 10.5859 ± 0.0007 Å |
c | 14.7767 ± 0.001 Å |
α | 89.8 ± 0.001° |
β | 87.348 ± 0.001° |
γ | 77.3 ± 0.001° |
Cell volume | 1366.86 ± 0.16 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
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 | 0.0366 |
Residual factor for significantly intense reflections | 0.0334 |
Weighted residual factors for significantly intense reflections | 0.0858 |
Weighted residual factors for all reflections included in the refinement | 0.0881 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2236603.html
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Users of the data should acknowledge the original authors of the
structural data.