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Information card for entry 4301077
Preview
| Coordinates | 4301077.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (Cp*2Co) Ga4L6 complex |
|---|---|
| Formula | C204 H174 Co3 Ga4 K9 N12 O36 |
| Calculated formula | C207 H84 Co3 Ga4 K1.98 N12 O41 |
| Title of publication | Structural Consequences of Anionic Host-Cationic Guest Interactions in a Supramolecular Assembly |
| Authors of publication | Michael D. Pluth; Darren W. Johnson; Géza Szigethy; Anna V. Davis; Simon J. Teat; Allen G. Oliver; Robert G. Bergman; Kenneth N. Raymond |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2009 |
| Journal volume | 48 |
| Pages of publication | 111 - 120 |
| a | 50.004 ± 0.002 Å |
| b | 50.004 ± 0.002 Å |
| c | 50.004 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 125030 ± 9 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 228 |
| Hermann-Mauguin space group symbol | F d -3 c :2 |
| Hall space group symbol | -F 4ud 2vw 3 |
| Residual factor for all reflections | 0.2242 |
| Residual factor for significantly intense reflections | 0.1469 |
| Weighted residual factors for significantly intense reflections | 0.3666 |
| Weighted residual factors for all reflections included in the refinement | 0.4067 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.195 |
| Diffraction radiation wavelength | 0.7749 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179048 (current) | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/10. |
4301077.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
4301077.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4301077.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4301077.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' ) & |
4301077.cif |
| 1054 | 2010-03-28 | cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing. |
4301077.cif |
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Users of the data should acknowledge the original authors of the
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