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Information card for entry 7009461
Preview
| Coordinates | 7009461.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C93 H93 B2 Cl Ir2 P2 |
|---|---|
| Calculated formula | C93 H92 B2 Cl Ir2 P2 |
| SMILES | [Ir]12345([Cl][Ir]6789([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[c]1([c]7([c]8([c]9([c]61C)C)C)C)C)[c]1([c]3([c]4([c]5([c]21C)C)C)C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | dppm and hydrido-bridged dinuclear complexes of iridium. Synthesis and structures of [(IrCp*)2(μ-dppm)(μ-H)(μ-X)]2+ (X = Cl, OMe, OH, or H) |
| Authors of publication | Fujita, Ken-ichi; Hamada, Taro; Yamaguchi, Ryohei |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2000 |
| Journal issue | 12 |
| Pages of publication | 1931 |
| a | 26.484 ± 0.007 Å |
| b | 11.022 ± 0.005 Å |
| c | 27.76 ± 0.005 Å |
| α | 90° |
| β | 107.93 ± 0.01° |
| γ | 90° |
| Cell volume | 7710 ± 4 Å3 |
| Cell temperature | 296.2 K |
| Ambient diffraction temperature | 296.2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.0579 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for all reflections | 0.061 |
| Weighted residual factors for all reflections included in the refinement | 0.061 |
| Goodness-of-fit parameter for all reflections | 1.958 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.96 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7009461.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
7009461.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009461.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009461.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009461.cif |
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Users of the data should acknowledge the original authors of the
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