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Information card for entry 8102106
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| Coordinates | 8102106.cif |
|---|
| Chemical name | bis(4-chloro-2-((3-dimethylaminopropylimino)methyl)phenolato)thiocyanato- cobalt(III) perchlorate hemihydrate |
|---|---|
| Formula | C25 H34 Cl3 Co N5 O6.5 S |
| Calculated formula | C25 H34 Cl3 Co N5 O6.5 S |
| Title of publication | Crystal structure of bis(4-chloro-2-((3-dimethylaminopropylimino)- methyl)phenolato)thiocyanato-cobalt(III) perchlorate hemihydrate, [Co(C~12~H~16~ClN~2~O)(C~12~H~17~ClN~2~O)(NCS)][ClO~4~] · 0.5H~2~O |
| Authors of publication | Wang, L.-H.; Li, L.-Z. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2007 |
| Journal volume | 222 |
| Journal issue | 2 |
| Pages of publication | 122 - 124 |
| a | 8.073 ± 0.001 Å |
| b | 33.072 ± 0.004 Å |
| c | 13.141 ± 0.002 Å |
| α | 90° |
| β | 97.77 ± 0.002° |
| γ | 90° |
| Cell volume | 3476.3 ± 0.8 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1398 |
| Residual factor for significantly intense reflections | 0.095 |
| Weighted residual factors for significantly intense reflections | 0.2179 |
| Weighted residual factors for all reflections included in the refinement | 0.2445 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
8102106.cif |
| 108257 | 2014-03-29 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102106.cif |
| 108108 | 2014-03-27 | cif/8/ (antanas@lokys.ibt.lt) Removing some extra characters introduced while converting CIF's from one encoding into the other. |
8102106.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102106.cif |
| 12845 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102106 via cif-deposit CGI script. |
8102106.cif |
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