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Information card for entry 2221673
Preview
Coordinates | 2221673.cif |
---|---|
Structure factors | 2221673.hkl |
Original IUCr paper | HTML |
Chemical name | Aqua(3-formyl-2-oxidobenzoato-κ^2^<i>O</i>^1^,<i>O</i>^2^)(1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) dimethylformamide solvate |
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Formula | C23 H21 Cu N3 O6 |
Calculated formula | C23 H21 Cu N3 O6 |
SMILES | [Cu]12([n]3cccc4ccc5ccc[n]1c5c34)([OH2])Oc1c(C=O)cccc1C(=O)O2.CN(C)C=O |
Title of publication | Aqua(3-formyl-2-oxidobenzoato-κ^2^<i>O</i>^1^,<i>O</i>^2^)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) dimethylformamide solvate |
Authors of publication | Yu, Zhao-Wen; Chang, Ling; Song, Peng; He, Min-Hui |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 5 |
Pages of publication | m485 |
a | 9.6936 ± 0.0006 Å |
b | 10.902 ± 0.0012 Å |
c | 11.28 ± 0.0007 Å |
α | 103.834 ± 0.001° |
β | 109.764 ± 0.001° |
γ | 98.604 ± 0.001° |
Cell volume | 1054.09 ± 0.15 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 | 0.038 |
Residual factor for significantly intense reflections | 0.036 |
Weighted residual factors for significantly intense reflections | 0.1108 |
Weighted residual factors for all reflections included in the refinement | 0.1122 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
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/2221673.html
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Users of the data should acknowledge the original authors of the
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