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Information card for entry 8102141
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| Coordinates | 8102141.cif |
|---|
| Chemical name | bis(4-nitro-2-((3-dimethylaminopropylimino)methyl)phenolato)- diisothiocyanato-nickel(II) |
|---|---|
| Formula | C26 H34 N8 Ni O6 S2 |
| Calculated formula | C26 H34 N8 Ni O6 S2 |
| Title of publication | Crystal structure of bis(4-nitro-2-((3-dimethylamino-propylimino)methyl)- phenolato)-diisothiocyanato-nickel(II), Ni(C~12~H~17~N~3~O~3~)~2~ (NCS)~2~ |
| Authors of publication | Li, Wen-Hui |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2007 |
| Journal volume | 222 |
| Journal issue | 3 |
| Pages of publication | 255 - 256 |
| a | 7.247 ± 0.002 Å |
| b | 10.045 ± 0.003 Å |
| c | 11.324 ± 0.004 Å |
| α | 96.668 ± 0.005° |
| β | 105.805 ± 0.005° |
| γ | 98.427 ± 0.005° |
| Cell volume | 774 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.1614 |
| Residual factor for significantly intense reflections | 0.0699 |
| Weighted residual factors for significantly intense reflections | 0.0669 |
| Weighted residual factors for all reflections included in the refinement | 0.0825 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.781 |
| 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. |
8102141.cif |
| 108388 | 2014-03-31 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102141.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102141.cif |
| 12880 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102141 via cif-deposit CGI script. |
8102141.cif |
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Users of the data should acknowledge the original authors of the
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