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Information card for entry 4065632
Preview
| Coordinates | 4065632.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74 H72 F12 N12 O12 Pd2 S8 |
|---|---|
| Calculated formula | C74 H72 F12 N12 O12 Pd2 S8 |
| SMILES | C12N(C=CN1CN1C(N(C=C1)c1c(C)cc(cc1C)C)=[Pd]1=2[n]2ccc(SSc3cc[n](cc3)[Pd]3(=C4N(C=CN4CN4C=3N(C=C4)c3c(cc(cc3C)C)C)c3c(cc(cc3C)C)C)[n]3ccc(SSc4cc[n]1cc4)cc3)cc2)c1c(cc(cc1C)C)C.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-] |
| Title of publication | Self-Assembly of Palladium-Based Macrocycles with N-Heterocyclic Carbene as the “Corner” Ligand† |
| Authors of publication | Xiao, Xu-Qiong; Jia, Ai-Quan; Lin, Yue-Jian; Jin, Guo-Xin |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 21 |
| Pages of publication | 4842 |
| a | 32.318 ± 0.011 Å |
| b | 16.429 ± 0.006 Å |
| c | 24.148 ± 0.009 Å |
| α | 90° |
| β | 131.085 ± 0.004° |
| γ | 90° |
| Cell volume | 9664 ± 6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1302 |
| Residual factor for significantly intense reflections | 0.0507 |
| Weighted residual factors for significantly intense reflections | 0.0914 |
| Weighted residual factors for all reflections included in the refinement | 0.1016 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.827 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178549 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/56. |
4065632.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4065632.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4065632.cif |
| 33632 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4065629, 4065630, 4065631, 4065632, 4065633 via cif-deposit CGI script. |
4065632.cif |
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Users of the data should acknowledge the original authors of the
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