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Information card for entry 7035942
Preview
| Coordinates | 7035942.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H50 Ir2 N4 |
|---|---|
| Calculated formula | C40 H50 Ir2 N4 |
| SMILES | [Ir]123(c4n(cc[n]54)c4c(cc(cc4C)C)C)([CH]4=[CH]3CC[CH]1=[CH]2CC4)[n]1ccn(c1[Ir]1235[CH]4=[CH]1CC[CH]2=[CH]3CC4)c1c(cc(cc1C)C)C |
| Title of publication | Dinuclear iridium and rhodium complexes with bridging arylimidazolide-N(3),C(2) ligands: synthetic, structural, reactivity, electrochemical and spectroscopic studies. |
| Authors of publication | He, Fan; Ruhlmann, Laurent; Gisselbrecht, Jean-Paul; Choua, Sylvie; Orio, Maylis; Wesolek, Marcel; Danopoulos, Andreas A.; Braunstein, Pierre |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 39 |
| Pages of publication | 17030 - 17044 |
| a | 12.3621 ± 0.0004 Å |
| b | 18.959 ± 0.0006 Å |
| c | 17.3685 ± 0.0005 Å |
| α | 90° |
| β | 119.356 ± 0.002° |
| γ | 90° |
| Cell volume | 3548 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0561 |
| Residual factor for significantly intense reflections | 0.0332 |
| Weighted residual factors for significantly intense reflections | 0.058 |
| Weighted residual factors for all reflections included in the refinement | 0.0674 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7035942.cif |
| 161190 | 2015-10-09 | cif/ Updating files of 7035941, 7035942, 7035943, 7035944 Original log message: Adding full bibliography for 7035941--7035944.cif. |
7035942.cif |
| 152501 | 2015-07-24 | cif/ Adding structures of 7035941, 7035942, 7035943, 7035944 via cif-deposit CGI script. |
7035942.cif |
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Users of the data should acknowledge the original authors of the
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