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Information card for entry 8102224
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| Coordinates | 8102224.cif |
|---|
| Chemical name | bis(μ~2~-thiocyanato)tetrakis(3,5-dimethyl-1-(thiocarbamoyl)pyrazole)- dinickel(II) dichloride ethanol disolvate |
|---|---|
| Formula | C30 H48 Cl2 N14 Ni2 O2 S6 |
| Calculated formula | C30 H48 Cl2 N14 Ni2 O2 S6 |
| Title of publication | Crystal structure of bis(μ~2~-thiocyanato)tetrakis(3,5-dimethyl- 1-(thiocarbamoyl)pyrazole)dinickel(II) dichloride ethanol disolvate, [Ni(NCS)~2~(C~6~H~6~N~3~S)~4~][Cl]~2~ · 2C~2~H~5~OH |
| Authors of publication | Jacimovic, Zeljko K.; Radovic, Ana; Leovac, Vukadin M.; Tomic, Zoran D.; Radosavljevic Evans, Ivana |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2007 |
| Journal volume | 222 |
| Journal issue | 4 |
| Pages of publication | 430 - 432 |
| a | 12.0407 ± 0.0007 Å |
| b | 11.8861 ± 0.0006 Å |
| c | 15.7389 ± 0.0009 Å |
| α | 90° |
| β | 93.904 ± 0.001° |
| γ | 90° |
| Cell volume | 2247.3 ± 0.2 Å3 |
| Cell temperature | 120 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.032 |
| Weighted residual factors for all reflections included in the refinement | 0.0693 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9095 |
| Diffraction radiation probe | x-ray |
| 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. |
8102224.cif |
| 108390 | 2014-03-31 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102224.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. |
8102224.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102224.cif |
| 12963 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102224 via cif-deposit CGI script. |
8102224.cif |
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