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Information card for entry 2018738
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 2018738.cif |
---|---|
Structure factors | 2018738.hkl |
Original IUCr paper | HTML |
Chemical name | bis[hydroxybis(pyridin-2-yl)methanesulfonato- κ^3^<i>N</i>,<i>O</i>,<i>N</i>']copper(II) hexahydrate |
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Formula | C22 H30 Cu N4 O14 S2 |
Calculated formula | C22 H30 Cu N4 O14 S2 |
SMILES | C12(c3cccc[n]3[Cu]34([n]5c1cccc5)(OS2(=O)=O)[n]1c(C(c2cccc[n]32)(O)S(=O)(=O)O4)cccc1)O.O.O.O.O.O.O |
Title of publication | Completing the bis[hydroxybis(pyridin-2-yl)methanesulfonato-κ^3^<i>N</i>,<i>O</i>,<i>N</i>']<i>M</i>^II^ series (<i>M</i> = Mn to Zn) with the copper(II) and cobalt(II) structures |
Authors of publication | Haghjoo, Farhad; Pritchard, Robin |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2013 |
Journal volume | 69 |
Journal issue | 1 |
Pages of publication | 21 - 24 |
a | 7.5892 ± 0.0003 Å |
b | 10.1399 ± 0.0004 Å |
c | 10.7325 ± 0.0005 Å |
α | 108.675 ± 0.002° |
β | 109.92 ± 0.002° |
γ | 101.025 ± 0.004° |
Cell volume | 692.53 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0744 |
Residual factor for significantly intense reflections | 0.0642 |
Weighted residual factors for significantly intense reflections | 0.164 |
Weighted residual factors for all reflections included in the refinement | 0.1722 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
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/2018738.html
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Users of the data should acknowledge the original authors of the
structural data.