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Information card for entry 8103175
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| Coordinates | 8103175.cif |
|---|
| Chemical name | Dichloro-bis(dimethylsulfoxide-O)-bis(isonicotinic acid-N)-copper(II) dimethylsulfoxide solvate |
|---|---|
| Formula | C20 H34 Cl2 Cu N2 O8 S4 |
| Calculated formula | C20 H34 Cl2 Cu N2 O8 S4 |
| Title of publication | Crystal structure of dichlorobis(dimethylsulfoxide-O)bis(isonicotinic acid-N)copper(II) — dimethylsulfoxide (1:2), [CuCl2(C6H5NO2)2(C2H6OS)2]2 · 2C2H6OS |
| Authors of publication | Jaeun Kang; Inhae Park; Youngbum Kwak; Yeonsun Jung; Seonhong Kim; Yumi Lee; Hoseop Yun; Junghwan Do |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2011 |
| Journal volume | 226 |
| Journal issue | 3 |
| Pages of publication | 311 |
| a | 7.105 ± 0.005 Å |
| b | 10.578 ± 0.007 Å |
| c | 11.007 ± 0.007 Å |
| α | 71.575 ± 0.014° |
| β | 84.51 ± 0.015° |
| γ | 77.47 ± 0.017° |
| Cell volume | 765.8 ± 0.9 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1256 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.1219 |
| Weighted residual factors for all reflections included in the refinement | 0.1548 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.911 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8103175.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8103175.cif |
| 29179 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 8103175 via cif-deposit CGI script. |
8103175.cif |
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Users of the data should acknowledge the original authors of the
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