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Information card for entry 7218675
Preview
Coordinates | 7218675.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H20 Co N2 O7 S2 |
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Calculated formula | C14 H12 Co N2 O5 S |
Title of publication | Structural diversity and magnetic properties of three metal‒organic frameworks assembled from a T-shaped linker |
Authors of publication | Wang, Jing; Jing, Xuemin; Cao, Yu; Li, Guanghua; Huo, Qisheng; Liu, Yunling |
Journal of publication | CrystEngComm |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 3 |
Pages of publication | 604 |
a | 24.755 ± 0.003 Å |
b | 24.755 ± 0.003 Å |
c | 24.755 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 15170 ± 3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 205 |
Hermann-Mauguin space group symbol | P a -3 |
Hall space group symbol | -P 2ac 2ab 3 |
Residual factor for all reflections | 0.135 |
Residual factor for significantly intense reflections | 0.0885 |
Weighted residual factors for significantly intense reflections | 0.2191 |
Weighted residual factors for all reflections included in the refinement | 0.2466 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180517 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/86. |
7218675.cif |
133184 | 2015-03-06 | cif/ Updating files of 7218674, 7218675, 7218676 Original log message: Adding full bibliography for 7218674--7218676.cif. |
7218675.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 {}' |
7218675.cif |
126233 | 2014-11-05 | cif/ Adding structures of 7218674, 7218675, 7218676 via cif-deposit CGI script. |
7218675.cif |
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Users of the data should acknowledge the original authors of the
structural data.