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Information card for entry 4318792
Preview
| Coordinates | 4318792.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | oxaporphyrin |
|---|---|
| Chemical name | 5,10,15,20 - tetraphenyl-21-oxaporphyrin iron(III) complex |
| Formula | C44 H28 Cl2 Fe N3 O |
| Calculated formula | C44 H28 Cl2 Fe N3 O |
| Title of publication | Iron Complexes of 5,10,15,20-Tetraphenyl-21-oxaporphyrin |
| Authors of publication | Miłosz Pawlicki; Lechosław Latos-Grażyński |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2002 |
| Journal volume | 41 |
| Pages of publication | 5866 - 5873 |
| a | 13.524 ± 0.002 Å |
| b | 13.524 ± 0.002 Å |
| c | 9.763 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1785.6 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 87 |
| Hermann-Mauguin space group symbol | I 4/m |
| Hall space group symbol | -I 4 |
| Residual factor for all reflections | 0.0866 |
| Residual factor for significantly intense reflections | 0.0801 |
| Weighted residual factors for significantly intense reflections | 0.1912 |
| Weighted residual factors for all reflections included in the refinement | 0.1957 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179267 (current) | 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 4/31/87. |
4318792.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4318792.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 {}' |
4318792.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4318792.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4318792.cif |
| 15516 | 2011-03-16 | ../uploads/cif-deposit/cod/cif Adding structures of 4318792 via cif-deposit CGI script. |
4318792.cif |
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