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Information card for entry 7209568
Preview
| Coordinates | 7209568.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C53 H44 Cl6 Cu4 N12 O2 |
|---|---|
| Calculated formula | C53 H44 Cl6 Cu4 N12 O2 |
| Title of publication | CuII-mediated controllable creation of tertiary and quaternary carbon centers: designed assembly and structures of a new class of copper complexes supported by in situ generated substituted 1-pyridineimidazo[1,5-a]pyridine ligands |
| Authors of publication | Chen, Yanmei; Li, Lei; Cao, Yanyuan; Wu, Jian; Gao, Qian; Li, Yahong; Hu, Hailiang; Liu, Wei; Liu, Yonglu; Kang, Zhenhui; Li, Jingping |
| Journal of publication | CrystEngComm |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 14 |
| Pages of publication | 2675 |
| a | 12.4628 ± 0.0018 Å |
| b | 10.8337 ± 0.0015 Å |
| c | 20.597 ± 0.003 Å |
| α | 90° |
| β | 105.875 ± 0.003° |
| γ | 90° |
| Cell volume | 2674.9 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.1474 |
| Residual factor for significantly intense reflections | 0.1288 |
| Weighted residual factors for significantly intense reflections | 0.2922 |
| Weighted residual factors for all reflections included in the refinement | 0.3017 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.129 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7209568.cif |
| 180426 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/95. |
7209568.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 {}' |
7209568.cif |
| 86045 | 2013-05-09 | cif/ Adding structures of 7209567, 7209568, 7209569, 7209570, 7209571, 7209572 via cif-deposit CGI script. |
7209568.cif |
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Users of the data should acknowledge the original authors of the
structural data.