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Information card for entry 4077307
Preview
| Coordinates | 4077307.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H32 N4 Ni |
|---|---|
| Calculated formula | C18 H32 N4 Ni |
| SMILES | [Ni]1(=C2N(C(C)(C)C)C=CN2CCN2C=1N(C(C)(C)C)C=C2)(C)C |
| Title of publication | Nickel(II)cis- andtrans-Dimethyl Complexes of Di-N-heterocyclic Carbenes |
| Authors of publication | Douthwaite, Richard E.; Green, Malcolm L. H.; Silcock, Peter J.; Gomes, Pedro T. |
| Journal of publication | Organometallics |
| Year of publication | 2001 |
| Journal volume | 20 |
| Journal issue | 12 |
| Pages of publication | 2611 |
| a | 9.901 ± 0.001 Å |
| b | 12.701 ± 0.002 Å |
| c | 15.309 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1925.1 ± 0.4 Å3 |
| Cell temperature | 0 K |
| Ambient diffraction temperature | 180 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.055 |
| Weighted residual factors for all reflections included in the refinement | 0.0664 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0313 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4077307.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4077307.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4077307.cif |
| 54285 | 2012-04-24 | cif/ Adding structures of 4077306, 4077307 via cif-deposit CGI script. |
4077307.cif |
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Users of the data should acknowledge the original authors of the
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