Information card for entry 4324626

Structure parameters

• Common name: AsmeimCO
• Formula: C29 H26 As Cl4 Ir N2 O
• Calculated formula: C29 H26 As Cl4 Ir N2 O
• SMILES: [Ir](Cl)(Cl)(Cl)(Cl)([n]1cn(cc1)C)C#[O].[As+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Tetrachlorocarbonyliridates: Water-Soluble Carbon Monoxide Releasing Molecules Rate-Modulated by the Sixth Ligand
• Authors of publication: Damian E. Bikiel; Estefanía González Solveyra; Florencia Di Salvo; Humberto M. S. Milagre; Marcos N. Eberlin; Rodrigo S. Corrêa; Javier Ellena; Darío A. Estrin; Fabio Doctorovich
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 2334 - 2345
• a: 12.3015 ± 0.0009 Å
• b: 18.2647 ± 0.0012 Å
• c: 14.5551 ± 0.0007 Å
• α: 90°
• β: 111.975 ± 0.004°
• γ: 90°
• Cell volume: 3032.7 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No