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Information card for entry 4318484
Preview
| Coordinates | 4318484.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | corrphycene |
|---|---|
| Chemical name | Fluoro[(2,7,12,17-tetraethyl-3,6,11,18- tetramethylcorrphycenato)iron(III)] |
| Formula | C33 H37 Cl3 F Fe N4 |
| Calculated formula | C33 H37 Cl3 F Fe N4 |
| Title of publication | Molecular Structures of Five-Coordinated Halide Ligated Iron(III) Porphyrin, Porphycene, and Corrphycene Complexes |
| Authors of publication | Yoshiki Ohgo; Saburo Neya; Takahisa Ikeue; Masashi Takahashi; Masuo Takeda; Noriaki Funasaki; Mikio Nakamura |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2002 |
| Journal volume | 41 |
| Pages of publication | 4627 - 4629 |
| a | 11.8966 ± 0.0008 Å |
| b | 12.1945 ± 0.0004 Å |
| c | 13.3152 ± 0.0011 Å |
| α | 113.431 ± 0.006° |
| β | 104.041 ± 0.001° |
| γ | 102.837 ± 0.004° |
| Cell volume | 1605.5 ± 0.2 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1014 |
| Residual factor for significantly intense reflections | 0.084 |
| Weighted residual factors for significantly intense reflections | 0.2125 |
| Weighted residual factors for all reflections included in the refinement | 0.2304 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179264 (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 4/31/84. |
4318484.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4318484.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4318484.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' ) & |
4318484.cif |
| 15198 | 2011-03-14 | ../uploads/cif-deposit/cod/cif Adding structures of 4318484 via cif-deposit CGI script. |
4318484.cif |
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