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Information card for entry 7110949
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| Coordinates | 7110949.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H78 Ga6 O9 |
|---|---|
| Calculated formula | C171 H198 Ga18 O20.166 |
| Title of publication | Reaction of tris-arylgallium(iii) with water: biaryl coupling versus Ga‒C hydrolysis |
| Authors of publication | Nichols, Peter J.; Papadopoulos, Stavroula; Raston, Colin L. |
| Journal of publication | Chemical Communications |
| Year of publication | 2000 |
| Journal issue | 14 |
| Pages of publication | 1227 |
| a | 22.5232 ± 0.0002 Å |
| b | 22.5232 ± 0.0002 Å |
| c | 20.8835 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 9174.75 ± 0.14 Å3 |
| Cell temperature | 123 ± 1 K |
| Ambient diffraction temperature | 123 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0611 |
| Residual factor for significantly intense reflections | 0.0611 |
| Weighted residual factors for all reflections | 0.0599 |
| Weighted residual factors for all reflections included in the refinement | 0.0599 |
| Goodness-of-fit parameter for all reflections | 4.55 |
| Goodness-of-fit parameter for all reflections included in the refinement | 4.55 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7110949.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 {}' |
7110949.cif |
| 96070 | 2014-01-28 | cif/ Adding structures of 7110948, 7110949 via cif-deposit CGI script. |
7110949.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.