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Information card for entry 2240683
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| Coordinates | 2240683.cif |
|---|---|
| Structure factors | 2240683.hkl |
| Original IUCr paper | HTML |
| Chemical name | Di-μ-chlorido-bis[dichloridobis(methanol-κ<i>O</i>)iridium(III)] dihydrate |
|---|---|
| Formula | C4 H20 Cl6 Ir2 O6 |
| Calculated formula | C4 H20 Cl6 Ir2 O6 |
| SMILES | C[OH][Ir]1([OH]C)(Cl)(Cl)[Cl][Ir]([OH]C)([OH]C)(Cl)(Cl)[Cl]1.O.O |
| Title of publication | Crystal structure of di-μ-chlorido-bis[dichloridobis(methanol-κ<i>O</i>)iridium(III)] dihydrate: a surprisingly simple chloridoiridium(III) dinuclear complex with methanol ligands |
| Authors of publication | Merola, Joseph S.; Slebodnick, Carla; Houser, Christopher |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| Pages of publication | 528 - 530 |
| a | 7.1445 ± 0.0004 Å |
| b | 7.4876 ± 0.0005 Å |
| c | 8.6362 ± 0.0007 Å |
| α | 73.597 ± 0.006° |
| β | 75.596 ± 0.005° |
| γ | 89.404 ± 0.005° |
| Cell volume | 428.37 ± 0.05 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0321 |
| Residual factor for significantly intense reflections | 0.0275 |
| Weighted residual factors for significantly intense reflections | 0.0533 |
| Weighted residual factors for all reflections included in the refinement | 0.0554 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219800 (current) | 2019-10-28 | cif/2 Fixing Z values and formulae |
2240683.cif 2240683.hkl |
| 181906 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/06 |
2240683.cif 2240683.hkl |
| 176429 | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
2240683.cif 2240683.hkl |
| 136465 | 2015-05-13 | cif/ hkl/ Adding structures of 2240683 via cif-deposit CGI script. |
2240683.cif 2240683.hkl |
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Users of the data should acknowledge the original authors of the
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