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Information card for entry 8101832
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| Coordinates | 8101832.cif |
|---|
| Chemical name | bis[(N-benzyl,N-hydroxyethyl)dithiocarbamato](1,10-phenanthroline)cadmium(II) |
|---|---|
| Formula | C32 H32 Cd N4 O2 S4 |
| Calculated formula | C32 H32 Cd N4 O2 S4 |
| Title of publication | Crystal structure of bis[(N-benzyl,N-hydroxyethyl)dithiocarbamato] (1,10-phenanthroline)cadmium(II), Cd[S~2~CN(C~7~H~7~)(C~2~H~2~OH)] ~2~(C~12~H~8~N~2~) |
| Authors of publication | M. Saravanan; R. Ramalingam; B. Arulprakasam; G. Bocelli; A. Cantoni; E. R. T. Tiekink |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2005 |
| Journal volume | 220 |
| Journal issue | 3 |
| Pages of publication | 477 - 478 |
| a | 7.2663 ± 0.0007 Å |
| b | 18.6061 ± 0.0018 Å |
| c | 24.01 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3246.1 ± 0.5 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.036 |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for significantly intense reflections | 0.064 |
| Weighted residual factors for all reflections included in the refinement | 0.066 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71069 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. |
8101832.cif |
| 108038 | 2014-03-26 | cif/8/ (antanas@lokys.ibt.lt) Changing '_refine_ls_shift/su_max' tag to '_refine_ls_shift/su_max_lt' and removing less than symbol ('>') from the value. |
8101832.cif |
| 107931 | 2014-03-24 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101832.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101832.cif |
| 12571 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101832 via cif-deposit CGI script. |
8101832.cif |
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Users of the data should acknowledge the original authors of the
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