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Information card for entry 4067779
Preview
| Coordinates | 4067779.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C96 H100 F12 Ir4 N8 O16 S4 |
|---|---|
| Calculated formula | C96 H100 F12 Ir4 N8 O16 S4 |
| SMILES | C12=[O][Ir]34567(N(C1=[O][Ir]189%10(N2c2ccccc2)([n]2ccc(cc2)/C=C/c2cc[n](cc2)[Ir]2%11%12%13%14(N(C%15=[O][Ir]%16%17%18%19(N(C%15=[O]2)c2ccccc2)([n]2ccc(cc2)/C=C/c2cc[n]3cc2)[c]2([c]%16([c]%17([c]%18([c]%192C)C)C)C)C)c2ccccc2)[c]2([c]%11([c]%12([c]%13([c]%142C)C)C)C)C)[c]2([c]1(C)[c]8(C)[c]9([c]%102C)C)C)c1ccccc1)[c]1([c]4([c]5([c]6([c]71C)C)C)C)C.FC(F)(F)S(=O)(=O)[O-].O=S(=O)([O-])C(F)(F)F.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-] |
| Title of publication | [2+2] Photodimerization in the Solid State Aided by Molecular Templates of Rectangular Macrocycles Bearing Oxamidato Ligands |
| Authors of publication | Zhang, Wan-Zheng; Han, Ying-Feng; Lin, Yue-Jian; Jin, Guo-Xin |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 13 |
| Pages of publication | 2842 |
| a | 43.871 ± 0.014 Å |
| b | 15.719 ± 0.004 Å |
| c | 16.759 ± 0.005 Å |
| α | 90° |
| β | 97.747 ± 0.007° |
| γ | 90° |
| Cell volume | 11452 ± 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 | 0.0904 |
| Residual factor for significantly intense reflections | 0.0457 |
| Weighted residual factors for significantly intense reflections | 0.0925 |
| Weighted residual factors for all reflections included in the refinement | 0.0988 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.812 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178568 (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 4/06/77. |
4067779.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067779.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067779.cif |
| 34290 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067778, 4067779, 4067780, 4067781, 4067782 via cif-deposit CGI script. |
4067779.cif |
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Users of the data should acknowledge the original authors of the
structural data.