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Information card for entry 4513533
Preview
| Coordinates | 4513533.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H26 Cl12 N4 Ni O10 |
|---|---|
| Calculated formula | C42 H26 Cl12 N4 Ni O10 |
| SMILES | [Ni]12([OH2])(OC(=O)[C@@H]3[C@@H]([C@]4(Cl)C(=C(Cl)[C@@]3(Cl)C4(Cl)Cl)Cl)C(=O)[O-])([n]3c4c5[n]2cccc5ccc4ccc3)[n]2c3c(ccc4c3[n]1ccc4)ccc2.ClC1=C(Cl)[C@@]2(Cl)[C@@H](C(=O)O)[C@H]([C@]1(Cl)C2(Cl)Cl)C(=O)O.O |
| 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 | 12.1783 ± 0.0004 Å |
| b | 12.6524 ± 0.0006 Å |
| c | 16.6968 ± 0.0006 Å |
| α | 95.897 ± 0.003° |
| β | 99.86 ± 0.003° |
| γ | 104.902 ± 0.004° |
| Cell volume | 2420.19 ± 0.18 Å3 |
| Cell temperature | 267.48 ± 0.1 K |
| Ambient diffraction temperature | 267.48 ± 0.1 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 | 0.0874 |
| Residual factor for significantly intense reflections | 0.0584 |
| Weighted residual factors for significantly intense reflections | 0.1498 |
| Weighted residual factors for all reflections included in the refinement | 0.1713 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 154582 (current) | 2015-09-05 | cif/ Updating files of 4513533, 4513534, 4513535, 4513536 Original log message: Adding full bibliography for 4513533--4513536.cif. |
4513533.cif |
| 153522 | 2015-08-20 | cif/ Adding structures of 4513533, 4513534, 4513535, 4513536 via cif-deposit CGI script. |
4513533.cif |
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