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Information card for entry 4324471
Preview
| Coordinates | 4324471.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H54 Bi N4 O |
|---|---|
| Calculated formula | C35 H54 Bi N4 O |
| Title of publication | Bismuth Coordination Chemistry with Allyl, Alkoxide, Aryloxide, and Tetraphenylborate Ligands and the {[2,6-(Me2NCH2)2C6H3]2Bi}+ Cation |
| Authors of publication | Ian J. Casely; Joseph W. Ziller; Bruce J. Mincher; William J. Evans |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 1513 - 1520 |
| a | 9.5132 ± 0.0005 Å |
| b | 14.5142 ± 0.0008 Å |
| c | 25.4014 ± 0.0013 Å |
| α | 90° |
| β | 91.4692 ± 0.0006° |
| γ | 90° |
| Cell volume | 3506.2 ± 0.3 Å3 |
| Cell temperature | 98 ± 2 K |
| Ambient diffraction temperature | 98 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0225 |
| Residual factor for significantly intense reflections | 0.0183 |
| Weighted residual factors for significantly intense reflections | 0.0431 |
| Weighted residual factors for all reflections included in the refinement | 0.0446 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179347 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/44. |
4324471.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 {}' |
4324471.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4324471.cif |
| 41179 | 2012-03-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4324471 via cif-deposit CGI script. |
4324471.cif |
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Users of the data should acknowledge the original authors of the
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