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Information card for entry 4318751
Preview
| Coordinates | 4318751.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C53 H50 Cl2 F6 O P5 Tc |
|---|---|
| Calculated formula | C53 H50 Cl2 F6 O P5 Tc |
| SMILES | [Tc]12(Cl)(Cl)([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].O=C(C)C |
| Title of publication | Reduction of the Pertechnetate Anion with Bidentate Phosphine Ligands |
| Authors of publication | Evan Freiberg; William M. Davis; Terrence Nicholson; Alan Davison; Alun G. Jones |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2002 |
| Journal volume | 41 |
| Pages of publication | 5667 - 5674 |
| a | 12.1601 ± 0.0013 Å |
| b | 12.9798 ± 0.0014 Å |
| c | 17.2293 ± 0.0018 Å |
| α | 87.726 ± 0.002° |
| β | 80.318 ± 0.002° |
| γ | 72.725 ± 0.002° |
| Cell volume | 2559.6 ± 0.5 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0435 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.0888 |
| Weighted residual factors for all reflections included in the refinement | 0.0915 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| 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. |
4318751.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4318751.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4318751.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' ) & |
4318751.cif |
| 15475 | 2011-03-16 | ../uploads/cif-deposit/cod/cif Adding structures of 4318751 via cif-deposit CGI script. |
4318751.cif |
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