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Information card for entry 2017818
Preview
Coordinates | 2017818.cif |
---|---|
Structure factors | 2017818.hkl |
Original IUCr paper | HTML |
Chemical name | <i>trans</i>-bis(<i>trans</i>-cyclohexane-1,2-diamine)bis(6-methyl-2,2,4- trioxo-3,4-dihydro-1,2,3-oxathiazin-3-ido)copper(II) |
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Formula | C20 H36 Cu N6 O8 S2 |
Calculated formula | C20 H36 Cu N6 O8 S2 |
SMILES | [C@H]12CCCC[C@@H]1[NH2][Cu]1([NH2]2)[NH2][C@@H]2CCCC[C@H]2[NH2]1.C1(=O)N=S([O-])(=O)OC(=C1)C.C1(=O)C=C(OS(=O)([O-])=N1)C |
Title of publication | Structural properties of <i>trans</i>-cyclohexane-1,2-diamine complexes of copper(II) and zinc(II) acesulfamates |
Authors of publication | Şahin, Zarife Sibel; Sevindi, Fatma; İçbudak, Hasan; Işık, Şamil |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 10 |
Pages of publication | m314 - m318 |
a | 7.3878 ± 0.0002 Å |
b | 22.2436 ± 0.0009 Å |
c | 8.655 ± 0.0003 Å |
α | 90° |
β | 93.716 ± 0.002° |
γ | 90° |
Cell volume | 1419.3 ± 0.08 Å3 |
Cell temperature | 296 K |
Ambient diffraction temperature | 296 K |
Number of distinct elements | 6 |
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 | 0.0449 |
Residual factor for significantly intense reflections | 0.0394 |
Weighted residual factors for significantly intense reflections | 0.1048 |
Weighted residual factors for all reflections included in the refinement | 0.1077 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
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/2017818.html
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Users of the data should acknowledge the original authors of the
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