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Information card for entry 4503326
Preview
| Coordinates | 4503326.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H22 Er2 N8 O18 |
|---|---|
| Calculated formula | C36 H22 Er2 N8 O18 |
| Title of publication | The Coordination Chemistry of Benzimidazole-5,6-dicarboxylic Acid with Mn(II), Ni(II), and Ln(III) Complexes (Ln = Tb, Ho, Er, Lu) |
| Authors of publication | Yao, Yali; Che, Yunxia; Zheng, Jimin |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2008 |
| Journal volume | 8 |
| Journal issue | 7 |
| Pages of publication | 2299 |
| a | 18.6818 ± 0.0016 Å |
| b | 12.6689 ± 0.0011 Å |
| c | 15.4333 ± 0.0013 Å |
| α | 90° |
| β | 108.411 ± 0.001° |
| γ | 90° |
| Cell volume | 3465.8 ± 0.5 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0333 |
| Residual factor for significantly intense reflections | 0.0247 |
| Weighted residual factors for significantly intense reflections | 0.0537 |
| Weighted residual factors for all reflections included in the refinement | 0.0564 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179564 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/33. |
4503326.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 {}' |
4503326.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4503326.cif |
| 41489 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4503326 via cif-deposit CGI script. |
4503326.cif |
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Users of the data should acknowledge the original authors of the
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