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Information card for entry 4509107
Preview
| Coordinates | 4509107.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C88 H72 Cd3 N20 O15 |
|---|---|
| Calculated formula | C88 H72 Cd3 N20 O15 |
| Title of publication | Self-Assembly of Metal−Organic Coordination Polymers Constructed from a Versatile Multipyridyl Ligand: Diversity of Coordination Modes and Structures |
| Authors of publication | Liang, Xiao-Qiang; Zhou, Xin-Hui; Chen, Chao; Xiao, Hong-Ping; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2009 |
| Journal volume | 9 |
| Journal issue | 2 |
| Pages of publication | 1041 |
| a | 22.292 ± 0.004 Å |
| b | 22.292 ± 0.004 Å |
| c | 18.692 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9289 ± 3 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 130 |
| Hermann-Mauguin space group symbol | P 4/n c c :2 |
| Hall space group symbol | -P 4a 2ac |
| Residual factor for all reflections | 0.0583 |
| Residual factor for significantly intense reflections | 0.0461 |
| Weighted residual factors for significantly intense reflections | 0.1403 |
| Weighted residual factors for all reflections included in the refinement | 0.1468 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4509107.cif |
| 131843 | 2015-02-13 | cod/ (robertas@burundukas) Changed comma in the number to a decimal point. Affected only values of '_cell_measurement_theta_min' and '_cell_measurement_theta_max'. codsql 'select codid, message from validation \ where message like "%_cell_measurement_theta_m%\"%,%\"%" ' -NB \ | grep -P '"\d*,\d*"' \ | awk '{print $1}' | uniq | codid2file \ | xargs perl -i -pe \ 's/_cell_measurement_theta_m .* \K \b(\d+),(\d+)\b /$1.$2/xi' |
4509107.cif |
| 97111 | 2014-01-29 | cif/ Adding structures of 4509106, 4509107, 4509108, 4509109, 4509110, 4509111 via cif-deposit CGI script. |
4509107.cif |
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Users of the data should acknowledge the original authors of the
structural data.