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Information card for entry 7018958
Preview
Coordinates | 7018958.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H17 Br N0 O13 Zn4 |
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Calculated formula | C44 H20 Br 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 | 41.285 ± 0.008 Å |
b | 41.285 ± 0.008 Å |
c | 17.489 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 25815 ± 8 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 | 0.143 |
Residual factor for significantly intense reflections | 0.0713 |
Weighted residual factors for significantly intense reflections | 0.1745 |
Weighted residual factors for all reflections included in the refinement | 0.1991 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.862 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179893 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/89. |
7018958.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 {}' |
7018958.cif |
120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7018958.cif |
56010 | 2012-05-08 | cif/ Adding structures of 7018958, 7018959, 7018960, 7018961, 7018962, 7018963, 7018964 via cif-deposit CGI script. |
7018958.cif |
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Users of the data should acknowledge the original authors of the
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