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Information card for entry 4306828
Preview
| Coordinates | 4306828.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (η^4^-Cyclooctadiene)(<i>N</i>,<i>N</i>-dimethyl-<i>N'</i>,<i>N''</i>- bis(2,6-dimethylphenyl)guanidinato-κ^2^<i>N'</i>,<i>N''</i>)iridium(I) |
|---|---|
| Formula | C27 H36 Ir N3 |
| Calculated formula | C27 H36 Ir N3 |
| SMILES | [Ir]1234([N](=C(N1c1c(cccc1C)C)N(C)C)c1c(cccc1C)C)[CH]1=[CH]2CC[CH]3=[CH]4CC1 |
| Title of publication | Synthesis, Characterization, and O2 Reactivity of Iridium(I) Complexes Supported by Guanidinato Ligands |
| Authors of publication | Jan-Uwe Rohde; Matthew R. Kelley; Wei-Tsung Lee |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Pages of publication | 11461 - 11463 |
| a | 15.1915 ± 0.0016 Å |
| b | 7.6661 ± 0.0009 Å |
| c | 20.783 ± 0.003 Å |
| α | 90° |
| β | 94.776 ± 0.005° |
| γ | 90° |
| Cell volume | 2412 ± 0.5 Å3 |
| Cell temperature | 190 ± 2 K |
| Ambient diffraction temperature | 190 ± 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 | 0.0332 |
| Residual factor for significantly intense reflections | 0.0224 |
| Weighted residual factors for significantly intense reflections | 0.0437 |
| Weighted residual factors for all reflections included in the refinement | 0.0468 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179106 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/68. |
4306828.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4306828.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4306828.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
4306828.cif |
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