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Information card for entry 4063845
Preview
| Coordinates | 4063845.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H41 Cl F6 Ir2 N5 P |
|---|---|
| Calculated formula | C32 H41 Cl F6 Ir2 N5 P |
| SMILES | [Ir]12345(Cl)([n]6ccccc6C[N]61[Ir]178([n]9ccccc9C26)[CH]2=[CH]1CC[CH]7=[CH]8CC2)[CH]1=[CH]3CC[CH]4=[CH]5CC1.[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC |
| Title of publication | Binuclear [(cod)(Cl)Ir(bpi)Ir(cod)]+for Catalytic Water Oxidation |
| Authors of publication | Dzik, Wojciech I.; Calvo, Sara E.; Reek, Joost N. H.; Lutz, Martin; Ciriano, Miguel A.; Tejel, Cristina; Hetterscheid, Dennis G. H.; de Bruin, Bas |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 3 |
| Pages of publication | 372 |
| a | 11.3767 ± 0.0004 Å |
| b | 12.2208 ± 0.0005 Å |
| c | 13.9557 ± 0.0006 Å |
| α | 102.708 ± 0.001° |
| β | 99.606 ± 0.002° |
| γ | 111.486 ± 0.001° |
| Cell volume | 1694.53 ± 0.12 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0148 |
| Residual factor for significantly intense reflections | 0.0137 |
| Weighted residual factors for significantly intense reflections | 0.032 |
| Weighted residual factors for all reflections included in the refinement | 0.0324 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178533 (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 4/06/38. |
4063845.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063845.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063845.cif |
| 32693 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4063845 via cif-deposit CGI script. |
4063845.cif |
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