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Information card for entry 2241336
Preview
| Coordinates | 2241336.cif |
|---|---|
| Structure factors | 2241336.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>cis</i>-Bis{4-phenyl-1-[(3<i>R</i>)-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptan-3-ylidene]thiosemicarbazidato-κ^3^<i>O</i>,<i>N</i>^1^,<i>S</i>}cadmium(II) |
|---|---|
| Formula | C34 H40 Cd N6 O2 S2 |
| Calculated formula | C34 H40 Cd N6 O2 S2 |
| Title of publication | Crystal structure of <i>cis</i>-bis{4-phenyl-1-[(3<i>R</i>)-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptan-3-ylidene]thiosemicarbazidato-κ^3^<i>O</i>,<i>N</i>^1^,<i>S</i>}cadmium(II) with an unknown solvent molecule |
| Authors of publication | Nogueira, Vanessa Senna; Bresolin, Leandro; Näther, Christian; Jess, Inke; de Oliveira, Adriano Bof |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | m234 - m235 |
| a | 10.3613 ± 0.0003 Å |
| b | 12.3817 ± 0.0004 Å |
| c | 16.5366 ± 0.0006 Å |
| α | 68.727 ± 0.003° |
| β | 72.094 ± 0.003° |
| γ | 89.892 ± 0.003° |
| Cell volume | 1866.74 ± 0.12 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 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 | 0.0451 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.099 |
| Weighted residual factors for all reflections included in the refinement | 0.1031 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181914 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/13. |
2241336.cif 2241336.hkl |
| 170454 | 2015-11-22 | cif/ hkl/ Adding structures of 2241336 via cif-deposit CGI script. |
2241336.cif 2241336.hkl |
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