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Information card for entry 1514995
Preview
| Coordinates | 1514995.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [SiP(iPr)3]Ni-H |
|---|---|
| Formula | C36 H55 Cl Ni P3 Si |
| Calculated formula | C36 H54.974 Cl0.026 Ni P3 Si |
| SMILES | [NiH]123[Si](c4c([P]1(C(C)C)C(C)C)cccc4)(c1c([P]2(C(C)C)C(C)C)cccc1)c1c([P]3(C(C)C)C(C)C)cccc1 |
| Title of publication | Thermally stable N2 and H2 adducts of cationic nickel(ii) |
| Authors of publication | Tsay, Charlene; Peters, Jonas C. |
| Journal of publication | Chemical Science |
| Year of publication | 2012 |
| Journal volume | 3 |
| Journal issue | 4 |
| Pages of publication | 1313 |
| a | 10.9905 ± 0.0007 Å |
| b | 11.1304 ± 0.0007 Å |
| c | 16.8144 ± 0.0011 Å |
| α | 78.237 ± 0.003° |
| β | 79.052 ± 0.003° |
| γ | 61.648 ± 0.002° |
| Cell volume | 1761.8 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.075 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.1045 |
| Weighted residual factors for all reflections included in the refinement | 0.1168 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (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 1. |
1514995.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 {}' |
1514995.cif |
| 110835 | 2014-04-20 | cif/ Adding structures of 1514991, 1514992, 1514993, 1514994, 1514995, 1514996, 1514997 via cif-deposit CGI script. |
1514995.cif |
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Users of the data should acknowledge the original authors of the
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