Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7214547
Preview
| Coordinates | 7214547.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | BMOF-1-bpdc-NO2 |
|---|---|
| Formula | C38 H8 N6 O8 Zn2 |
| Calculated formula | C37.92 H8 N6 O8 Zn2 |
| Title of publication | The influence of nitro groups on the topology and gas sorption property of extended Zn(ii)-paddlewheel MOFs |
| Authors of publication | Dau, Phuong V.; Cohen, Seth M. |
| Journal of publication | CrystEngComm |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 45 |
| Pages of publication | 9304 |
| a | 21.3799 ± 0.0018 Å |
| b | 21.4597 ± 0.0018 Å |
| c | 27.944 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 12820.9 ± 1.8 Å3 |
| Cell temperature | 250 ± 2 K |
| Ambient diffraction temperature | 250 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 66 |
| Hermann-Mauguin space group symbol | C c c m |
| Hall space group symbol | -C 2 2c |
| Residual factor for all reflections | 0.0886 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.1265 |
| Weighted residual factors for all reflections included in the refinement | 0.1379 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180476 (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 7/21/45. |
7214547.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 {}' |
7214547.cif |
| 110297 | 2014-04-18 | cif/ Adding structures of 7214545, 7214546, 7214547, 7214548 via cif-deposit CGI script. |
7214547.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.