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Information card for entry 7011998
Preview
| Coordinates | 7011998.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | none |
|---|---|
| Chemical name | catena-(bis(?2-4-aminobenzonitrile-N,N)-bis(thiocyanato-N)) nickel(II) 4-aminobenzonitrile clathrate |
| Formula | C23 H18 N8 Ni S2 |
| Calculated formula | C23 H18 N8 Ni S2 |
| Title of publication | New self-assembled one-dimensional nickel coordination polymers and hydrogen-bonded networks |
| Authors of publication | Vujovic, Dejana; Raubenheimer, Helgard G.; Nassimbeni, Luigi R. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2003 |
| Journal issue | 4 |
| Pages of publication | 631 |
| a | 9.3711 ± 0.0001 Å |
| b | 13.2066 ± 0.0002 Å |
| c | 19.5217 ± 0.0003 Å |
| α | 90° |
| β | 95.903 ± 0.001° |
| γ | 90° |
| Cell volume | 2403.2 ± 0.06 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0467 |
| Residual factor for significantly intense reflections | 0.0305 |
| Weighted residual factors for significantly intense reflections | 0.0649 |
| Weighted residual factors for all reflections included in the refinement | 0.0704 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7011998.cif |
| 179823 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/19. |
7011998.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
7011998.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011998.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011998.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011998.cif |
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Users of the data should acknowledge the original authors of the
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