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Information card for entry 7024664
Preview
| Coordinates | 7024664.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | B H9 N2 O8 P2 |
|---|---|
| Calculated formula | B H9 N2 O8 P2 |
| Title of publication | Spontaneous crystallization of a new chiral open-framework borophosphate in the ionothermal system. |
| Authors of publication | Xing, Hongzhu; Li, Yi; Su, Tan; Xu, Jin; Yang, Weiting; Zhu, Enbo; Yu, Jihong; Xu, Ruren |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 7 |
| Pages of publication | 1713 - 1715 |
| a | 7.2392 ± 0.001 Å |
| b | 7.2392 ± 0.001 Å |
| c | 14.87 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 779.3 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0214 |
| Residual factor for significantly intense reflections | 0.0211 |
| Weighted residual factors for significantly intense reflections | 0.0572 |
| Weighted residual factors for all reflections included in the refinement | 0.0574 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.144 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179951 (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 7/02/46. |
7024664.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 {}' |
7024664.cif |
| 92623 | 2014-01-12 | cif/ Adding structures of 7024664 via cif-deposit CGI script. |
7024664.cif |
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Users of the data should acknowledge the original authors of the
structural data.