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Information card for entry 2211943
Preview
Coordinates | 2211943.cif |
---|---|
Structure factors | 2211943.hkl |
Original IUCr paper | HTML |
Chemical name | Bis[(2-amino-4,6-dimethylpyrimidine-κN)(isophthalato-κ^2^O,O')]copper(II) 2-amino-4,6-dimethylpyrimidine disolvate |
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Formula | C40 H46 Cu N12 O8 |
Calculated formula | C40 H46 Cu N12 O8 |
SMILES | n1c(cc(nc1N)C)C.[Cu]12([n]3c(cc(nc3N)C)C)([n]3c(cc(nc3N)C)C)(OC(=[O]1)c1cc(ccc1)C(=O)O)OC(=[O]2)c1cc(ccc1)C(=O)O.n1c(cc(nc1N)C)C |
Title of publication | Bis(2-amino-4,6-dimethylpyrimidine-κ<i>N</i>)bis(isophthalato-κ^2^<i>O</i>,<i>O</i>')copper(II) 2-amino-4,6-dimethylpyrimidine disolvate |
Authors of publication | Qing Wei; Guang Fan; Sheng-Li Gao |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 1 |
Pages of publication | m51 - m53 |
a | 7.401 ± 0.0002 Å |
b | 9.3811 ± 0.0003 Å |
c | 15.2889 ± 0.0005 Å |
α | 101.819 ± 0.002° |
β | 93.013 ± 0.002° |
γ | 93.547 ± 0.002° |
Cell volume | 1034.69 ± 0.06 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 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 | 0.0534 |
Residual factor for significantly intense reflections | 0.038 |
Weighted residual factors for significantly intense reflections | 0.1055 |
Weighted residual factors for all reflections included in the refinement | 0.1182 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
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/2211943.html
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Users of the data should acknowledge the original authors of the
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