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Information card for entry 4320484
Preview
| Coordinates | 4320484.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H23 Cu N3 O5 |
|---|---|
| Calculated formula | C22 H23 Cu N3 O5 |
| SMILES | [Cu]123(Oc4ccccc4C[NH]2CCC(=O)O1)[n]1cccc2ccc4ccc[n]3c4c12.O.O |
| Title of publication | Interconversion of a Monomer and Two Coordination Polymers of a Copper(II)-Reduced Schiff Base Ligand-1,10-Phenanthroline Complex Based on Hydrogen- and Coordinative-Bonding |
| Authors of publication | Chang Tong Yang; Boujemaa Moubaraki; Keith S. Murray; John D. Ranford; Jagadese Jayapurandara Vittal |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 5934 - 5941 |
| a | 10.6344 ± 0.0003 Å |
| b | 5.3953 ± 0.0001 Å |
| c | 18.1983 ± 0.0001 Å |
| α | 90° |
| β | 99.686 ± 0.001° |
| γ | 90° |
| Cell volume | 1029.26 ± 0.04 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.0357 |
| Residual factor for significantly intense reflections | 0.0291 |
| Weighted residual factors for significantly intense reflections | 0.0567 |
| Weighted residual factors for all reflections included in the refinement | 0.0586 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4320484.cif |
| 179307 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/04. |
4320484.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 {}' |
4320484.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4320484.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4320484.cif |
| 17680 | 2011-04-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4320484 via cif-deposit CGI script. |
4320484.cif |
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