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Information card for entry 4315413
Preview
| Coordinates | 4315413.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 4b |
|---|---|
| Formula | C51 H47 Cl2 I2 Ir O2 P2 |
| Calculated formula | C51 H47 Cl2 I2 Ir O2 P2 |
| SMILES | [Ir]1(I)(I)(C#[O])([P](c2ccccc2)(c2ccccc2)c2c(c3ccccc3cc2)c2c([P]1(c1ccccc1)c1ccccc1)ccc1ccccc21)C.C(Cl)Cl.CCOCC |
| Title of publication | Synthesis, Characterization, and Catalytic Properties of New Electrophilic Iridium(III) Complexes Containing the (R)-(+)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl Ligand |
| Authors of publication | Abdurrahman C. Atesin; Jing Zhang; Tulaza Vaidya; William W. Brennessel; Alison J. Frontier; Richard Eisenberg |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 4331 - 4342 |
| a | 12.2235 ± 0.0015 Å |
| b | 14.4669 ± 0.0018 Å |
| c | 26.899 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4756.7 ± 1 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0383 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0784 |
| Weighted residual factors for all reflections included in the refinement | 0.08 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179234 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/54. |
4315413.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4315413.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4315413.cif |
| 8568 | 2011-02-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4315413 via cif-deposit CGI script. |
4315413.cif |
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