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Information card for entry 7219057
Preview
| Coordinates | 7219057.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H35 Cl2 N5 Pd |
|---|---|
| Calculated formula | C23 H35 Cl2 N5 Pd |
| SMILES | [Pd]1(Cl)(Cl)[n]2n(c(cc2C)C)CN(Cn2[n]1c(cc2C)C)CC12CC3CC(C1)CC(C3)C2 |
| Title of publication | A supramolecular recyclable catalyst for aqueous Suzuki‒Miyaura coupling |
| Authors of publication | Qi, Miao; Tan, Pei Zi; Xue, Fei; Malhi, Haripal Singh; Zhang, Zhong-Xing; Young, David J.; Hor, T. S. Andy |
| Journal of publication | RSC Adv. |
| Year of publication | 2014 |
| Journal volume | 5 |
| Journal issue | 5 |
| Pages of publication | 3590 |
| a | 9.8954 ± 0.0005 Å |
| b | 13.9545 ± 0.0006 Å |
| c | 17.7018 ± 0.0008 Å |
| α | 90° |
| β | 96.711 ± 0.001° |
| γ | 90° |
| Cell volume | 2427.61 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0369 |
| Residual factor for significantly intense reflections | 0.0331 |
| Weighted residual factors for significantly intense reflections | 0.0773 |
| Weighted residual factors for all reflections included in the refinement | 0.0791 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180521 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/90. |
7219057.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 {}' |
7219057.cif |
| 128545 | 2014-12-12 | cif/ Adding structures of 7219057 via cif-deposit CGI script. |
7219057.cif |
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