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Information card for entry 4311699
Preview
| Coordinates | 4311699.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Th[ETAM] dimer - trimethylammonium salt |
|---|---|
| Formula | C64 H104 N12 O16 Th |
| Calculated formula | C18 N4 O18 Th2 |
| Title of publication | Characterization of 2,3-Dihydroxyterephthalamides as M(IV) Chelators1 |
| Authors of publication | Christine J. Gramer; Kenneth N. Raymond |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 6397 - 6402 |
| a | 18.2603 ± 0.0009 Å |
| b | 18.5002 ± 0.0009 Å |
| c | 19.675 ± 0.001 Å |
| α | 90 ± 0.001° |
| β | 117.298 ± 0.001° |
| γ | 90 ± 0.001° |
| Cell volume | 5906.4 ± 0.5 Å3 |
| Cell temperature | 156.2 K |
| Ambient diffraction temperature | 156.2 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 |
| Residual factor for significantly intense reflections | 0.032 |
| Weighted residual factors for all reflections | 0 |
| Weighted residual factors for significantly intense reflections | 0.0299 |
| Weighted residual factors for all reflections included in the refinement | 0.0299 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4311699.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4311699.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4311699.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' ) & |
4311699.cif |
| 3198 | 2010-11-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4311699 via cif-deposit CGI script. |
4311699.cif |
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