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Information card for entry 4512152
Preview
| Coordinates | 4512152.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H26 Cd2 N10 O13 |
|---|---|
| Calculated formula | C25 H26 Cd2 N10 O13 |
| SMILES | [Cd]1234(ON(=O)=O)(ON(=[O]1)=O)[n]1c([C@H]5[N]4(Cc4[n]2cccc4)[C@H]([NH]2[Cd]4(ON(=O)=O)(ON(=[O])=[O]4)([OH]C)[n]4ccccc4[C@H]52)c2[n]3cccc2)cccc1.[Cd]1234(ON(=O)=O)(ON(=[O]1)=O)[n]1c([C@@H]5[N]4(Cc4[n]2cccc4)[C@@H]([NH]2[Cd]4(ON(=O)=O)(ON(=[O])=[O]4)([OH]C)[n]4ccccc4[C@@H]52)c2[n]3cccc2)cccc1 |
| Title of publication | CdII-Mediated Efficient Synthesis and Complexation of Asymmetric Tetra-(2-pyridine)-Substituted Imidazolidine |
| Authors of publication | Ou, Yan-Jun; Zheng, Zhi-Peng; Hong, Xu-Jia; Wan, Lin-Tao; Wei, Lei-Ming; Lin, Xiao-Ming; Cai, Yue-Peng |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 11 |
| Pages of publication | 5339 |
| a | 9.6448 ± 0.001 Å |
| b | 20.427 ± 0.002 Å |
| c | 32.039 ± 0.003 Å |
| α | 90° |
| β | 90.806 ± 0.002° |
| γ | 90° |
| Cell volume | 6311.5 ± 1.1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0476 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.0659 |
| Weighted residual factors for all reflections included in the refinement | 0.0731 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179668 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/21. |
4512152.cif |
| 126862 | 2014-11-11 | cif/ Updating files of 4512150, 4512151, 4512152 Original log message: Adding full bibliography for 4512150--4512152.cif. |
4512152.cif |
| 125367 | 2014-10-15 | cif/ Adding structures of 4512150, 4512151, 4512152 via cif-deposit CGI script. |
4512152.cif |
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