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Information card for entry 2300382
Preview
Coordinates | 2300382.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C8.5 H7 Cu N5 O2 |
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Calculated formula | C8.5 H7 Cu N5 O2 |
Title of publication | Generation and applications of structure envelopes for porous metal‒organic frameworks |
Authors of publication | Yakovenko, Andrey A.; Reibenspies, Joseph H.; Bhuvanesh, Nattamai; Zhou, Hong-Cai |
Journal of publication | Journal of Applied Crystallography |
Year of publication | 2013 |
Journal volume | 46 |
Journal issue | 2 |
Pages of publication | 346 - 353 |
a | 28.697 ± 0.002 Å |
b | 9.2637 ± 0.0005 Å |
c | 9.3223 ± 0.0005 Å |
α | 90° |
β | 116.087 ± 0.004° |
γ | 90° |
Cell volume | 2225.8 ± 0.2 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor R(I) for significantly intense reflections | 0.0472 |
Goodness-of-fit parameter for all reflections | 4.07 |
Method of determination | powder diffraction |
Diffraction radiation wavelength | 0.6065 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2300382.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 {}' |
2300382.cif |
85356 | 2013-05-07 | cif/ Adding structures of 2300380, 2300381, 2300382 via cif-deposit CGI script. |
2300382.cif |
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Users of the data should acknowledge the original authors of the
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