Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7110895
Preview
| Coordinates | 7110895.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H18 B3 Cl2 F25 Ni2 O3 |
|---|---|
| Calculated formula | C47 H18 B3 Cl2 F25 Ni2 O3 |
| Title of publication | Weakly-coordinating anions stabilise the unprecedented monovalent and divalent η-benzene nickel cations [(η-C5H5)Ni(η-C6H6)Ni(η-C5H5)]2+ and [Ni(η-C6H6)2]2+ |
| Authors of publication | Priego, José L.; Doerrer, Linda H.; Rees, Leigh H.; Green, Malcolm. L. H. |
| Journal of publication | Chemical Communications |
| Year of publication | 2000 |
| Journal issue | 9 |
| Pages of publication | 779 |
| a | 11.873 ± 0.007 Å |
| b | 13.526 ± 0.008 Å |
| c | 16.304 ± 0.008 Å |
| α | 73.658 ± 0.006° |
| β | 75.969 ± 0.006° |
| γ | 71.607 ± 0.006° |
| Cell volume | 2350 ± 2 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for all reflections included in the refinement | 0.0572 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0715 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180222 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/08. |
7110895.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 {}' |
7110895.cif |
| 96003 | 2014-01-28 | cif/ Adding structures of 7110894, 7110895, 7110896 via cif-deposit CGI script. |
7110895.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.