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Information card for entry 4106492
Preview
| Coordinates | 4106492.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Barium oxonitridophosphate chloride |
|---|---|
| Chemical name | Barium oxonitridophosphate chloride |
| Formula | Ba19 Cl12.54 N61.46 O10.54 P36 |
| Calculated formula | Ba19 Cl12.536 N61.488 O10.512 P36 |
| Title of publication | Unprecedented Zeolite-Like Framework Topology Constructed from Cages with 3-Rings in a Barium Oxonitridophosphate |
| Authors of publication | Stefan J. Sedlmaier; Markus Döblinger; Oliver Oeckler; Johannes Weber; Jörn Schmedt auf der Günne; Wolfgang Schnick |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2011 |
| Journal volume | 133 |
| Pages of publication | 12069 - 12078 |
| a | 26.8541 ± 0.0003 Å |
| b | 26.8541 ± 0.0003 Å |
| c | 26.8541 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 19365.6 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 226 |
| Hermann-Mauguin space group symbol | F m -3 c |
| Hall space group symbol | -F 4a 2 3 |
| RFsqd | 0.077 |
| Goodness-of-fit parameter for all reflections | 5.172 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.39998 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4106492.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 {}' |
4106492.cif |
| 106542 | 2014-03-15 | cod/ (saulius@kolibris) Manually fixing _diffrn_radiation_probe for 13 COD CIFs. |
4106492.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4106492.cif |
| 53294 | 2012-04-19 | cif/ Adding structures of 4106492 via cif-deposit CGI script. |
4106492.cif |
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