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Information card for entry 1514991
Preview
| Coordinates | 1514991.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [SiP(iPr)3]Ni-CH3 |
|---|---|
| Formula | C37 H57 Ni P3 Si |
| Calculated formula | C37 H57 Ni P3 Si |
| SMILES | [Ni]123(C)[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 | 16.1008 ± 0.0013 Å |
| b | 16.9634 ± 0.0013 Å |
| c | 25.931 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7082.4 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0482 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.0848 |
| Weighted residual factors for all reflections included in the refinement | 0.0939 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
1514991.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 {}' |
1514991.cif |
| 110835 | 2014-04-20 | cif/ Adding structures of 1514991, 1514992, 1514993, 1514994, 1514995, 1514996, 1514997 via cif-deposit CGI script. |
1514991.cif |
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Users of the data should acknowledge the original authors of the
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