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Information card for entry 4319680
Preview
| Coordinates | 4319680.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C71 Cl5 F3 Fe N6 O3 P4 Re S |
|---|---|
| Calculated formula | C71 H92 Cl5 F3 Fe N6 O3 P4 Re S |
| Title of publication | Bridged Dinitrogen Complexes of Iron and Chromium Porphyrins |
| Authors of publication | Qian-Feng Zhang; Joyce L. C. Chim; Willetta Lai; Wing-Tak Wong; Wa-Hung Leung |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 2470 - 2471 |
| a | 21.405 ± 0.007 Å |
| b | 18.896 ± 0.004 Å |
| c | 21.55 ± 0.01 Å |
| α | 90 ± 0.03° |
| β | 116.24 ± 0.02° |
| γ | 90 ± 0.02° |
| Cell volume | 7818 ± 5 Å3 |
| Cell temperature | 298.2 K |
| Ambient diffraction temperature | 298.2 K |
| Number of distinct elements | 9 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for significantly intense reflections | 0.0811 |
| Weighted residual factors for significantly intense reflections | 0.0871 |
| Goodness-of-fit parameter for significantly intense reflections | 2.808 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKalpha |
| 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. |
4319680.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4319680.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4319680.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' ) & |
4319680.cif |
| 16481 | 2011-03-24 | ../uploads/cif-deposit/cod/cif Adding structures of 4319680 via cif-deposit CGI script. |
4319680.cif |
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