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Information card for entry 4317826
Preview
| Coordinates | 4317826.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H39 Cl3 Cu N2 O4 |
|---|---|
| Calculated formula | C29 H39 Cl3 Cu N6 |
| Title of publication | Lowering Melting Points in Asymmetrically Substituted Salen-Copper(II) Complexes Exhibiting Mesomorphic Behavior. Structure of the Mesogen Cu(5-hexyloxySalen) |
| Authors of publication | Reinhard Paschke; Dörte Balkow; E. Sinn |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2002 |
| Journal volume | 41 |
| Pages of publication | 1949 - 1953 |
| a | 12.162 ± 0.006 Å |
| b | 12.849 ± 0.005 Å |
| c | 11.026 ± 0.005 Å |
| α | 108 ± 0.02° |
| β | 102.2 ± 0.03° |
| γ | 73.86 ± 0.03° |
| Cell volume | 1559.2 ± 1.2 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.053 |
| Weighted residual factors for all reflections included in the refinement | 0.063 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.47 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179258 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/78. |
4317826.cif |
| 131582 | 2015-02-08 | cif/4/31/78/ (antanas@koala.ibt.lt) Fixing misaligned '_geom_bond' loop entries in CIF 4317826. |
4317826.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 {}' |
4317826.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4317826.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4317826.cif |
| 14108 | 2011-03-08 | ../uploads/cif-deposit/cod/cif Adding structures of 4317826 via cif-deposit CGI script. |
4317826.cif |
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