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Information card for entry 4069372
Preview
| Coordinates | 4069372.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C100 H92 Br4 Cl4 F12 Ir4 N8 O16 S4 |
|---|---|
| Calculated formula | C100 H92 Br4 Cl4 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(O%13)c(Cl)c%13N([Ir]%19%20%21%22([n]%23ccc(c%24cc[n]1cc%24)cc%23)(Oc%13c%18Cl)[c]1([c]%19([c]%20([c]%21([c]%221C)C)C)C)C)c1ccc(Br)cc1)c1ccc(Br)cc1)[c]1([c]%14([c]%15([c]%16([c]%171C)C)C)C)C)cc%12)(Oc2c7Cl)[c]1([c]%11([c]%10([c]9([c]81C)C)C)C)C)c1ccc(Br)cc1)c1ccc(Br)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 | 24.131 ± 0.017 Å |
| b | 31.7 ± 0.02 Å |
| c | 35.12 ± 0.02 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 26865 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 9 |
| 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 | 0.172 |
| Residual factor for significantly intense reflections | 0.0807 |
| Weighted residual factors for significantly intense reflections | 0.1795 |
| Weighted residual factors for all reflections included in the refinement | 0.2109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.872 |
| 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. |
4069372.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069372.cif |
| 40264 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069369, 4069370, 4069371, 4069372 via cif-deposit CGI script. |
4069372.cif |
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Users of the data should acknowledge the original authors of the
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