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Information card for entry 1565985
Preview
Coordinates | 1565985.cif |
---|---|
Structure factors | 1565985.hkl |
Original IUCr paper | HTML |
Chemical name | Bis(dimethylamine-κ<i>N</i>)bis[4-(1,2,4-triazol-1-yl)benzoato-κ<i>O</i>]copper(II) |
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Formula | C22 H26 Cu N8 O4 |
Calculated formula | C22 H26 Cu N8 O4 |
SMILES | O=C(c1ccc(cc1)n1cncn1)O[Cu]([NH](C)C)([NH](C)C)OC(=O)c1ccc(cc1)n1cncn1 |
Title of publication | Bis(dimethylamine-κ<i>N</i>)bis[4-(1,2,4-triazol-1-yl)benzoato-κ<i>O</i>]copper(II) |
Authors of publication | Liu, Lin; Han, Zheng-Bo |
Journal of publication | IUCrData |
Year of publication | 2022 |
Journal volume | 7 |
Journal issue | 1 |
Pages of publication | x220046 |
a | 6.3657 ± 0.0005 Å |
b | 8.1428 ± 0.0007 Å |
c | 12.1896 ± 0.0011 Å |
α | 72.595 ± 0.002° |
β | 89.376 ± 0.002° |
γ | 87.805 ± 0.002° |
Cell volume | 602.47 ± 0.09 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0475 |
Residual factor for significantly intense reflections | 0.0377 |
Weighted residual factors for significantly intense reflections | 0.0874 |
Weighted residual factors for all reflections included in the refinement | 0.0926 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
272059 (current) | 2022-01-15 | cif/ hkl/ Adding structures of 1565985 via cif-deposit CGI script. |
1565985.cif 1565985.hkl |
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Users of the data should acknowledge the original authors of the
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