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Information card for entry 7026142
Preview
| Coordinates | 7026142.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 N3 O11 P3 Y |
|---|---|
| Calculated formula | C9 N3 O11 P3 Y |
| Title of publication | Yttrium bisphosphonate STA-13: a racemic phosphonate metal organic framework with permanent microporosity. |
| Authors of publication | Wharmby, Michael T.; Miller, Stuart R.; Groves, John A.; Margiolaki, Irene; Ashbrook, Sharon E.; Wright, Paul A. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 28 |
| Pages of publication | 6389 - 6391 |
| a | 8.67363 ± 0.00029 Å |
| b | 9.78127 ± 0.00029 Å |
| c | 22.7964 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1934.03 ± 0.12 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 5 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 2 21 21 |
| Hall space group symbol | P 2bc 2 |
| RFsqd | 0.09876 |
| Goodness-of-fit parameter for all reflections | 1.34 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54056 Å |
| Diffraction radiation type | CuKα~1~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179967 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/61. |
7026142.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 {}' |
7026142.cif |
| 93417 | 2014-01-13 | cif/ Adding structures of 7026142, 7026143, 7026144 via cif-deposit CGI script. |
7026142.cif |
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Users of the data should acknowledge the original authors of the
structural data.