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Information card for entry 2231388
Preview
Coordinates | 2231388.cif |
---|---|
Structure factors | 2231388.hkl |
Original IUCr paper | HTML |
Chemical name | Bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(2-methylbenzoato-κ<i>O</i>)bis(2- methylbenzoic acid-κ<i>O</i>)copper(II) |
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Formula | C38 H38 Cu N4 O8 |
Calculated formula | C38 H38 Cu N4 O8 |
SMILES | c1(ccccc1C)C(=O)O[Cu]([n]1c[nH]cc1)([n]1c[nH]cc1)OC(=O)c1ccccc1C.C(=O)(O)c1ccccc1C.C(=O)(O)c1ccccc1C |
Title of publication | Bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(2-methylbenzoato-κ<i>O</i>)bis(2-methylbenzoic acid-κ<i>O</i>)copper(II) |
Authors of publication | Ni, Sheng-Liang; Zhao, Ming-Xing; Ge, Hai-Xia |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 8 |
Pages of publication | m1123 - m1124 |
a | 8.0866 ± 0.0016 Å |
b | 12.193 ± 0.002 Å |
c | 18.887 ± 0.004 Å |
α | 90° |
β | 101.9 ± 0.03° |
γ | 90° |
Cell volume | 1822.2 ± 0.6 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0872 |
Residual factor for significantly intense reflections | 0.0463 |
Weighted residual factors for significantly intense reflections | 0.1093 |
Weighted residual factors for all reflections included in the refinement | 0.1636 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
Diffraction radiation wavelength | 0.71073 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/2231388.html
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Users of the data should acknowledge the original authors of the
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