Information card for entry 4324627

Structure parameters

• Common name: Asco_aquo
• Formula: C25 H24 As Cl4 Ir O3
• Calculated formula: C25 H24 As Cl4 Ir O3
• SMILES: C(#[O])[Ir]([OH2])(Cl)(Cl)(Cl)Cl.c1(ccccc1)[As+](c1ccccc1)(c1ccccc1)c1ccccc1.O
• 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: 11.0493 ± 0.0002 Å
• b: 12.0623 ± 0.0002 Å
• c: 12.5596 ± 0.0002 Å
• α: 111.016 ± 0.001°
• β: 95.379 ± 0.001°
• γ: 111.648 ± 0.001°
• Cell volume: 1402.22 ± 0.05 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No