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Information card for entry 4030871
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Coordinates | 4030871.cif |
---|
Formula | C20 H16 Cu N2 O3 |
---|---|
Calculated formula | C20 Cu N2 O3 |
SMILES | [Cu]123[N](=Cc4c(O2)cccc4)c2ccccc2[N]3=Cc2ccccc2O1.O |
Title of publication | Molecular structures of two cu5II) complexes with tetradentate imine-phenols |
Authors of publication | Yao, H. H.; Huang, W. T.; Lo, J. M.; Liao, F. L.; Wang, S. L. |
Journal of publication | European Journal of Solid State and Inorganic Chemistry |
Year of publication | 1997 |
Journal volume | 34 |
Pages of publication | 355 - 366 |
a | 31.6778 ± 0.0002 Å |
b | 31.6778 ± 0.0002 Å |
c | 9.0834 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 7893.85 ± 0.19 Å3 |
Ambient diffraction temperature | 296 K |
Number of distinct elements | 5 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for significantly intense reflections | 0.0537 |
Weighted residual factors for significantly intense reflections | 0.0543 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.47 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178487 (current) | 2016-03-21 | cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/08. |
4030871.cif |
134416 | 2015-03-26 | cif/ Adding structures of 4030871 via cif-deposit CGI script. |
4030871.cif |
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