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Information card for entry 7106147
Preview
| Coordinates | 7106147.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C69 H66 B2 F24 N P2 Rh |
|---|---|
| Calculated formula | C69 H66 B2 F24 N P2 Rh |
| Title of publication | Tuning the [L2RhH3B·NR3]+ interaction using phosphine bite angle. Demonstration by the catalytic formation of polyaminoboranes |
| Authors of publication | Romaeo Dallanegra Alasdair P. M. Robertson Adrian B. Chaplin Ian Manners Andrew S. Weller |
| Journal of publication | Chem.Commun. |
| Year of publication | 2011 |
| Journal volume | 47 |
| Pages of publication | 3763 |
| a | 14.9418 ± 0.0001 Å |
| b | 19.267 ± 0.0002 Å |
| c | 25.1468 ± 0.0002 Å |
| α | 90° |
| β | 91.2143 ± 0.0003° |
| γ | 90° |
| Cell volume | 7237.73 ± 0.11 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0553 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.1007 |
| Weighted residual factors for all reflections included in the refinement | 0.1072 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180165 (current) | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/61. |
7106147.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 {}' |
7106147.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7106147.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7106147.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' ) & |
7106147.cif |
| 16310 | 2011-03-24 | ../uploads/cif-deposit/cod/cif Adding structures of 7106146, 7106147, 7106148 via cif-deposit CGI script. |
7106147.cif |
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Users of the data should acknowledge the original authors of the
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