Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4509007
Preview
| Coordinates | 4509007.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H28 N2 O4 Zn |
|---|---|
| Calculated formula | C31 H28 N2 O4 Zn |
| Title of publication | Hydrothermal Synthesis, Structures, and Luminescent Properties of Seven d10Metal−Organic Frameworks Based on 9,9-Dipropylfluorene-2,7-Dicarboxylic Acid (H2DFDA) |
| Authors of publication | Guo, Hua-Dong; Guo, Xian-Min; Batten, Stuart R.; Song, Jiang-Feng; Song, Shu-Yan; Dang, Song; Zheng, Guo-Li; Tang, Jin-Kui; Zhang, Hong-Jie |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2009 |
| Journal volume | 9 |
| Journal issue | 3 |
| Pages of publication | 1394 |
| a | 27.347 ± 0.005 Å |
| b | 8.637 ± 0.005 Å |
| c | 10.972 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 103.309 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 2521.9 ± 1.9 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0756 |
| Residual factor for significantly intense reflections | 0.0661 |
| Weighted residual factors for significantly intense reflections | 0.1579 |
| Weighted residual factors for all reflections included in the refinement | 0.166 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.984 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179626 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/90. |
4509007.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 {}' |
4509007.cif |
| 97073 | 2014-01-29 | cif/ Adding structures of 4509001, 4509002, 4509003, 4509004, 4509005, 4509006, 4509007 via cif-deposit CGI script. |
4509007.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.