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Information card for entry 4073379
Preview
| Coordinates | 4073379.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C65 H73 Ga N2 Ni2 |
|---|---|
| Calculated formula | C65 H73 Ga N2 Ni2 |
| SMILES | [Ga]12([Ni]34567([Ni]891([C]3(c1ccccc1)=[C]58c1ccccc1)[C](c1ccccc1)#[C]9c1ccccc1)[CH]1=[CH]4CC[CH]7=[CH]6CC1)[N](=C(C=C(N2c1c(C(C)C)cccc1C(C)C)C)C)c1c(cccc1C(C)C)C(C)C |
| Title of publication | Nickel Olefin Complexes Supported by GaI(DDP)† |
| Authors of publication | Kempter, Andreas; Gemel, Christian; Cadenbach, Thomas; Fischer, Roland A. |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 17 |
| Pages of publication | 4257 |
| a | 12.5791 ± 0.0005 Å |
| b | 19.3714 ± 0.0012 Å |
| c | 22.6823 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5527.1 ± 0.5 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1871 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0378 |
| Weighted residual factors for all reflections included in the refinement | 0.0441 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.495 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178622 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/33. |
4073379.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 {}' |
4073379.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073379.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073379.cif |
| 46306 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073372, 4073373, 4073374, 4073375, 4073376, 4073377, 4073378, 4073379 via cif-deposit CGI script. |
4073379.cif |
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Users of the data should acknowledge the original authors of the
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