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Information card for entry 7052461
Preview
| Coordinates | 7052461.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H52 O Yb |
|---|---|
| Calculated formula | C30 H52 O Yb |
| Title of publication | Coordination complexes of bivalent ansa-ytterbocenes: synthesis, structure and comparison with related unbridged ytterbocenes and ansa-ferrocenes |
| Authors of publication | Schultz, Madeleine; Sofield, Chadwick D.; Walter, Marc D.; Andersen, Richard A. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2005 |
| Journal volume | 29 |
| Journal issue | 7 |
| Pages of publication | 919 |
| a | 11.1771 ± 0.0002 Å |
| b | 19.1123 ± 0.0001 Å |
| c | 14.0739 ± 0.0002 Å |
| α | 90° |
| β | 90.16 ± 0.001° |
| γ | 90° |
| Cell volume | 3006.46 ± 0.07 Å3 |
| Cell temperature | 129.2 K |
| Ambient diffraction temperature | 129.2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for all reflections | 0 |
| Weighted residual factors for significantly intense reflections | 0.0395 |
| Weighted residual factors for all reflections included in the refinement | 0.0395 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.293 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7052461.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052461.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052461.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' ) & |
7052461.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7052461.cif |
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