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Information card for entry 4313684
Preview
| Coordinates | 4313684.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H48 Mn2 N4 O14 |
|---|---|
| Calculated formula | C42 H44 Mn2 N4 O14 |
| SMILES | C[OH][Mn]123([N](=Cc4c(O1)cccc4)CC[N]3=Cc1c(O2)cccc1)OC(=O)c1ccc(C(=O)O[Mn]234([N](=Cc5c(O3)cccc5)CC[N]2=Cc2ccccc2O4)[OH]C)cc1.O.O.O.O |
| Title of publication | Aggregate Manganese Schiff Base Moieties by Terephthalate or Acetate: Dinuclear Manganese and Trinuclear Mixed Metal Mn2/Na Complexes |
| Authors of publication | Changneng Chen; Deguang Huang; Xiaofeng Zhang; Feng Chen; Hongping Zhu; Qiutian Liu; Cunxi Zhang; Daizheng Liao; Licun Li; Licheng Sun |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2003 |
| Journal volume | 42 |
| Pages of publication | 3540 - 3548 |
| a | 7.5982 ± 0.0005 Å |
| b | 12.5587 ± 0.0009 Å |
| c | 22.5905 ± 0.0016 Å |
| α | 90° |
| β | 95.519 ± 0.001° |
| γ | 90° |
| Cell volume | 2145.7 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 significantly intense reflections | 0.0592 |
| Weighted residual factors for significantly intense reflections | 0.1542 |
| Weighted residual factors for all reflections included in the refinement | 0.1805 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211196 (current) | 2018-09-27 | cod/ Removing the _chemical_name_common and _chemical_name_systematic data items that contained the summary chemical formula instead of the chemical name from 6249 entries. |
4313684.cif |
| 179198 | 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 4/31/36. |
4313684.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4313684.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4313684.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' ) & |
4313684.cif |
| 6753 | 2011-01-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4313684 via cif-deposit CGI script. |
4313684.cif |
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