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Information card for entry 7003205
Preview
| Coordinates | 7003205.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C102 H227 N9 O62 V3 W17 |
|---|---|
| Calculated formula | C95 H190.5 N9 O62 V3.08 W16.92 |
| Title of publication | Bridging the gap between solution and solid state studies in polyoxometalate chemistry: Discovery of a family of [V1M17]-based cages encapsulating two {VVO4} moieties |
| Authors of publication | Miras, Haralampos N.; Long, De-Liang; Kögerler, Paul; Cronin, Leroy |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 2 |
| Pages of publication | 214 - 221 |
| a | 31.428 ± 0.003 Å |
| b | 15.9838 ± 0.0017 Å |
| c | 33.615 ± 0.004 Å |
| α | 90° |
| β | 102.154 ± 0.002° |
| γ | 90° |
| Cell volume | 16508 ± 3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0905 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.0927 |
| Weighted residual factors for all reflections included in the refinement | 0.1057 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179736 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/32. |
7003205.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 {}' |
7003205.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7003205.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7003205.cif |
| 31985 | 2012-01-04 | cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'. |
7003205.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7003205.cif |
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