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Information card for entry 7018960
Preview
| Coordinates | 7018960.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43.5 H18 I N0 O13 Zn4 |
|---|---|
| Calculated formula | C42.2 H16 I0.6 O13 Zn4 |
| Title of publication | Functional tolerance in an isoreticular series of highly porous metal‒organic frameworks |
| Authors of publication | Kim, Min; Boissonnault, Jake A.; Allen, Corinne A.; Dau, Phuong V.; Cohen, Seth M. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 20 |
| Pages of publication | 6277 |
| a | 41.345 ± 0.002 Å |
| b | 41.345 ± 0.002 Å |
| c | 17.5177 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 25933 ± 2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 176 |
| Hermann-Mauguin space group symbol | P 63/m |
| Hall space group symbol | -P 6c |
| Residual factor for all reflections | 0.1266 |
| Residual factor for significantly intense reflections | 0.0819 |
| Weighted residual factors for significantly intense reflections | 0.2308 |
| Weighted residual factors for all reflections included in the refinement | 0.264 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.775 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7018960.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 {}' |
7018960.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7018960.cif |
| 56010 | 2012-05-08 | cif/ Adding structures of 7018958, 7018959, 7018960, 7018961, 7018962, 7018963, 7018964 via cif-deposit CGI script. |
7018960.cif |
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Users of the data should acknowledge the original authors of the
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