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Information card for entry 7101590
Preview
| Coordinates | 7101590.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H32 N2 O5 Pd |
|---|---|
| Calculated formula | C27 H32 N2 O5 Pd |
| Title of publication | Supramolecular metallomesogens. Self-organization of an H-bonded tetrameric assembly into columnar phase from single component |
| Authors of publication | Wang, Yueh-Ju; Song, Jian-Hong; Lin, Yu-Siang; Lin, Ching; Sheu, Hwo-Shuenn; Lee, Gene-Hsiang; Lai, Chung K. |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2006 |
| Journal issue | 47 |
| Pages of publication | 4912 - 4914 |
| a | 26.5422 ± 0.0011 Å |
| b | 26.5422 ± 0.0011 Å |
| c | 7.1719 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5052.5 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 86 |
| Hermann-Mauguin space group symbol | P 42/n :2 |
| Hall space group symbol | -P 4bc |
| Residual factor for all reflections | 0.1254 |
| Residual factor for significantly intense reflections | 0.0477 |
| Weighted residual factors for significantly intense reflections | 0.1268 |
| Weighted residual factors for all reflections included in the refinement | 0.1657 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 208980 (current) | 2018-07-12 | cif/7/10/ Updating bibliography in entries 7101389, 7101393, 7101394, 7101412, 7101413, 7101414, 7101415, 7101451, 7101452, 7101453, 7101466, 7101467, 7101468, 7101469, 7101522, 7101523, 7101533, 7101534, 7101590, 7103724, 7103812, 7103813, 7104097, 7104098, 7106833, 7106834, 7106835, 7106836, 7106837, 7106838, 7106839. |
7101590.cif |
| 180117 | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/15. |
7101590.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 {}' |
7101590.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7101590.cif |
| 91955 | 2013-12-31 | cod/ (saulius@koala.ibt.lt) Removing '_journal_page_first ?' data items from a bunch of COD CIFs so that the quastion mark does not appear in the COD SQL tables as a page number. |
7101590.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7101590.cif |
| 5312 | 2011-01-03 | cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version. |
7101590.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
7101590.cif |
| 853 | 2009-11-16 | cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion. |
7101590.cif |
| 271 | 2008-03-15 | Adding CIF files from the Chem-Comm-2006-20_48/ deposion. |
7101590.cif |
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