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Information card for entry 4513534
Preview
| Coordinates | 4513534.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H12 Cl6 Cu N2 O5 |
|---|---|
| Calculated formula | C21 H12 Cl6 Cu N2 O5 |
| Title of publication | Syntheses, Crystal Structures, and Properties of Four Metal–Organic Complexes Based on 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic Acid |
| Authors of publication | Yang, Jie; Liu, Xiaobin; Wang, Xiaoqing; Dai, Fangna; Zhou, Yan; Dong, Bin; Zhang, Liangliang; Liu, Yanru; Sun, Daofeng |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 9 |
| Pages of publication | 4198 |
| a | 8.492 ± 0.008 Å |
| b | 12.824 ± 0.012 Å |
| c | 13.253 ± 0.013 Å |
| α | 64.289 ± 0.014° |
| β | 72.003 ± 0.016° |
| γ | 89.561 ± 0.016° |
| Cell volume | 1223 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0789 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.1136 |
| Weighted residual factors for all reflections included in the refinement | 0.1261 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4513534.cif |
| 154582 | 2015-09-05 | cif/ Updating files of 4513533, 4513534, 4513535, 4513536 Original log message: Adding full bibliography for 4513533--4513536.cif. |
4513534.cif |
| 153522 | 2015-08-20 | cif/ Adding structures of 4513533, 4513534, 4513535, 4513536 via cif-deposit CGI script. |
4513534.cif |
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Users of the data should acknowledge the original authors of the
structural data.