Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7011999
Preview
| Coordinates | 7011999.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | none |
|---|---|
| Chemical name | catena-(bis(?2-3-aminobenzonitrile-N,N)-bis(thiocyanato-N) nickel(II) benzene clathrate |
| Formula | C11 H9 N3 Ni0.5 S |
| Calculated formula | C11 H9 N3 Ni0.5 S |
| 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 | 8.6743 ± 0.0005 Å |
| b | 7.2741 ± 0.0005 Å |
| c | 17.4386 ± 0.0012 Å |
| α | 90° |
| β | 99.754 ± 0.002° |
| γ | 90° |
| Cell volume | 1084.43 ± 0.12 Å3 |
| Cell temperature | 293 ± 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0767 |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for significantly intense reflections | 0.0876 |
| Weighted residual factors for all reflections included in the refinement | 0.0987 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7011999.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" |
7011999.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011999.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011999.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011999.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.