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Information card for entry 4069417
Preview
| Coordinates | 4069417.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | JMM01047 |
|---|---|
| Chemical name | JMM01047 |
| Formula | C20 H32 Cl2 Ir2 |
| Calculated formula | C20 H32 Cl2 Ir2 |
| SMILES | [c]12([c]3([c]4([c]5([c]1(C)[IrH]2345(Cl)[IrH]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)Cl)C)C)C)C |
| Title of publication | Dinuclear Iridium Complexes Containing Cp* and Carbonyl Ligands: Synthesis, Structure, and Reactivity |
| Authors of publication | Meredith, Joseph M.; Goldberg, Karen I.; Kaminsky, Werner; Heinekey, D. Michael |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 12 |
| Pages of publication | 3546 |
| a | 7.2699 ± 0.0007 Å |
| b | 14.969 ± 0.002 Å |
| c | 10.468 ± 0.0013 Å |
| α | 90° |
| β | 114.2 ± 0.007° |
| γ | 90° |
| Cell volume | 1039.1 ± 0.2 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 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 | 0.0675 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.0726 |
| Weighted residual factors for all reflections included in the refinement | 0.0808 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.983 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178583 (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 4/06/94. |
4069417.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4069417.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069417.cif |
| 40289 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069415, 4069416, 4069417 via cif-deposit CGI script. |
4069417.cif |
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Users of the data should acknowledge the original authors of the
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