Information card for entry 4347078

Structure parameters

• Formula: C46 H44 B Ir N2 S
• Calculated formula: C46 H43 B Ir N2 S
• Title of publication: Hydrosulfide Adducts of Organo-Iridium Anticancer Complexes.
• Authors of publication: Štarha, Pavel; Habtemariam, Abraha; Romero-Canelón, Isolda; Clarkson, Guy J.; Sadler, Peter J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 2324 - 2331
• a: 11.376 ± 0.0002 Å
• b: 15.3329 ± 0.0003 Å
• c: 22.065 ± 0.0004 Å
• α: 101.801 ± 0.0016°
• β: 93.5362 ± 0.0015°
• γ: 98.4346 ± 0.0015°
• Cell volume: 3709.89 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.167
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No