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Information card for entry 7019878
Preview
| Coordinates | 7019878.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H20 Cl N5 Pd |
|---|---|
| Calculated formula | C16 H20 Cl N5 Pd |
| SMILES | Cc1cc(C)n2Cc3ccc4Cn5c(cc(C)[n]5[Pd]([n]12)(n34)Cl)C |
| Title of publication | Mononuclear, helical binuclear palladium and lithium complexes bearing a new pyrrole-based NNN-pincer ligand: fluxional property. |
| Authors of publication | Ghorai, Debasish; Kumar, Shanish; Mani, Ganesan |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 31 |
| Pages of publication | 9503 - 9512 |
| a | 12.811 ± 0.004 Å |
| b | 14.946 ± 0.004 Å |
| c | 8.938 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1711.4 ± 0.8 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.1087 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.0839 |
| Weighted residual factors for all reflections included in the refinement | 0.1077 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179902 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/98. |
7019878.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 {}' |
7019878.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7019878.cif |
| 64337 | 2012-08-12 | cif/ Adding structures of 7019875, 7019876, 7019877, 7019878, 7019879 via cif-deposit CGI script. |
7019878.cif |
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Users of the data should acknowledge the original authors of the
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