Information card for entry 2240683

Structure parameters

• 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 ų
• 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