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Information card for entry 2242235
Preview
Coordinates | 2242235.cif |
---|---|
Structure factors | 2242235.hkl |
Original IUCr paper | HTML |
Chemical name | Poly[diaquabis(μ~7~-benzene-1,3,5-tricarboxylato)dicalcium(II)copper(II)] |
---|---|
Formula | C18 H10 Ca2 Cu O14 |
Calculated formula | C18 H10 Ca2 Cu O14 |
SMILES | [Cu]1(OC(=O)c2cc(cc(c2)C(=O)[O-])C(=O)[O-])(OC(=O)c2cc(cc(c2)C(=O)[O-])C(=O)[O-])OC(=O)c2cc(cc(c2)C(=O)O[Cu]OC(=O)c2cc(cc(c2)C(=O)O1)C(=O)[O-])C(=O)[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].O.O.O.O |
Title of publication | Crystal structure of a heterometallic coordination polymer: poly[diaquabis(μ~7~-benzene-1,3,5-tricarboxylato)dicalcium(II)copper(II)] |
Authors of publication | Zhang, Feng; Zhang, Bing-Guang |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2017 |
Journal volume | 73 |
Journal issue | 6 |
Pages of publication | 835 - 837 |
a | 6.664 ± 0.003 Å |
b | 8.754 ± 0.004 Å |
c | 8.925 ± 0.004 Å |
α | 103.065 ± 0.004° |
β | 110.14 ± 0.004° |
γ | 92.776 ± 0.005° |
Cell volume | 471.6 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0295 |
Residual factor for significantly intense reflections | 0.0287 |
Weighted residual factors for significantly intense reflections | 0.0823 |
Weighted residual factors for all reflections included in the refinement | 0.0836 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
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/2242235.html
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Users of the data should acknowledge the original authors of the
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