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Information card for entry 4069371
Preview
| Coordinates | 4069371.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C100 H92 Cl8 F12 Ir4 N8 O16 S4 |
|---|---|
| Calculated formula | C100 H92 Cl8 F12 Ir4 N8 O16 S4 |
| SMILES | [Ir]123456(N(c7c(O2)c(Cl)c2N([Ir]89%10%11([n]%12ccc(cc%12)c%12cc[n]([Ir]%13%14%15%16%17(N(c%18c(Cl)c%19O[Ir]%20%21%22%23(N(c%19c(Cl)c%18O%13)c%13ccc(Cl)cc%13)([n]%13ccc(c%18cc[n]1cc%18)cc%13)[c]1([c]%23([c]%22([c]%21([c]%201C)C)C)C)C)c1ccc(Cl)cc1)[c]1([c]%14([c]%15([c]%16([c]%171C)C)C)C)C)cc%12)(Oc2c7Cl)[c]1([c]8([c]9([c]%10([c]%111C)C)C)C)C)c1ccc(Cl)cc1)c1ccc(Cl)cc1)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.[O-]S(=O)(=O)C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F |
| Title of publication | Stepwise Formation of Half-Sandwich Iridium-Based Rectangles Containing 2,5-Diarylamino-1,4-benzoquinone Derivatives Linkers |
| Authors of publication | Jia, Wei-Guo; Han, Ying-Feng; Lin, Yue-Jian; Weng, Lin-Hong; Jin, Guo-Xin |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 12 |
| Pages of publication | 3459 |
| a | 24.014 ± 0.006 Å |
| b | 31.496 ± 0.008 Å |
| c | 35.049 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 26509 ± 12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1845 |
| Residual factor for significantly intense reflections | 0.0993 |
| Weighted residual factors for significantly intense reflections | 0.2493 |
| Weighted residual factors for all reflections included in the refinement | 0.2833 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.885 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178582 (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 4/06/93. |
4069371.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069371.cif |
| 40264 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069369, 4069370, 4069371, 4069372 via cif-deposit CGI script. |
4069371.cif |
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Users of the data should acknowledge the original authors of the
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