Information card for entry 7056521

Structure parameters

• Chemical name: (1,5-Cyclooctadiene)-bis(N,N'-dimethylthiourea)-iridium(IV)
• Formula: C14 H26 Cl Ir N4 S2
• Calculated formula: C14 H26 Cl Ir N4 S2
• Title of publication: Synthesis, characterization, computational and antimicrobial activities of a novel iridium thiourea complex
• Authors of publication: Kumar, Sumit; Purcell, Walter; Conradie, Jeanet; Bragg, Robert; Langner, Ernst Hendrik
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 19
• Pages of publication: 10919 - 10928
• a: 10.697 ± 0.004 Å
• b: 15.165 ± 0.006 Å
• c: 14.304 ± 0.004 Å
• α: 90°
• β: 129.741 ± 0.012°
• γ: 90°
• Cell volume: 1784.2 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0243
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No