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Information card for entry 4317142
Preview
| Coordinates | 4317142.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Cu(pmc)2].1/6(Toluene) |
|---|---|
| Formula | C11.17 H7.33 Cu N4 O4 |
| Calculated formula | C11.155 H7.32 Cu N4 O4 |
| Title of publication | Topologies of Metal-Organic Frameworks Based on Pyrimidine-5-carboxylate and Unexpected Gas-Sorption Selectivity for CO2 |
| Authors of publication | Jinwoo Seo; Narae Jin; Hyungphil Chun |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 10833 - 10839 |
| a | 43.571 ± 0.006 Å |
| b | 43.571 ± 0.006 Å |
| c | 7.718 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 12689 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.17 |
| Residual factor for significantly intense reflections | 0.1459 |
| Weighted residual factors for significantly intense reflections | 0.4305 |
| Weighted residual factors for all reflections included in the refinement | 0.46 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.863 |
| Diffraction radiation wavelength | 0.72 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 700 files were changed. |
4317142.cif |
| 179251 | 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 4/31/71. |
4317142.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4317142.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4317142.cif |
| 17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
4317142.cif |
| 10654 | 2011-02-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4317142 via cif-deposit CGI script. |
4317142.cif |
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