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Information card for entry 4316126
Preview
| Coordinates | 4316126.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21.66 H27.99 B0.96 Br0.04 F3.83 N4.33 O3 Re |
|---|---|
| Calculated formula | C21 H26 B0.955 Br0.045 F3.82 N4 O3 Re |
| Title of publication | Superbasic Amidine Monodentate Ligands in fac-[Re(CO)3(5,5'-Me2bipy)(Amidine)]BF4 Complexes: Dependence of Amidine Configuration on the Remote Nitrogen Substituents |
| Authors of publication | Theshini Perera; Frank R. Fronczek; Patricia A. Marzilli; Luigi G. Marzilli |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 7035 - 7045 |
| a | 8.5566 ± 0.0005 Å |
| b | 17.5817 ± 0.0014 Å |
| c | 18.8096 ± 0.0003 Å |
| α | 106.934 ± 0.003° |
| β | 91.331 ± 0.004° |
| γ | 103.427 ± 0.005° |
| Cell volume | 2620.4 ± 0.3 Å3 |
| Cell temperature | 100 ± 0.5 K |
| Ambient diffraction temperature | 100 ± 0.5 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.054 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.073 |
| Weighted residual factors for all reflections included in the refinement | 0.078 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4316126.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4316126.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4316126.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' ) & |
4316126.cif |
| 9316 | 2011-02-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4316126 via cif-deposit CGI script. |
4316126.cif |
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