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Information card for entry 7110947
Preview
| Coordinates | 7110947.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H16 Er N6 O13 |
|---|---|
| Calculated formula | C16 H12 Er N6 O13 |
| Title of publication | Lanthanide co-ordination frameworks of 4,4′-bipyridine-N,N′-dioxide |
| Authors of publication | Long, De-Liang; Blake, Alexander J.; Champness, Neil R.; Schröder, Martin |
| Journal of publication | Chemical Communications |
| Year of publication | 2000 |
| Journal issue | 15 |
| Pages of publication | 1369 |
| a | 26.435 ± 0.006 Å |
| b | 26.435 ± 0.006 Å |
| c | 7.584 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5300 ± 2 Å3 |
| Cell temperature | 220 ± 2 K |
| Ambient diffraction temperature | 220 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 114 |
| Hermann-Mauguin space group symbol | P -4 21 c |
| Hall space group symbol | P -4 2n |
| Residual factor for all reflections | 0.097 |
| Residual factor for significantly intense reflections | 0.076 |
| Weighted residual factors for significantly intense reflections | 0.164 |
| Weighted residual factors for all reflections included in the refinement | 0.179 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
7110947.cif |
| 180223 | 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 7/11/09. |
7110947.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 {}' |
7110947.cif |
| 96068 | 2014-01-28 | cif/ Adding structures of 7110946, 7110947 via cif-deposit CGI script. |
7110947.cif |
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Users of the data should acknowledge the original authors of the
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