Information card for entry 1557720

Structure parameters

• Common name: ACC_25_LT
• Formula: C26 H26 F6 Ir N2 P
• Calculated formula: C26 H26 F6 Ir N2 P
• Title of publication: Structurally Strained Half-Sandwich Iridium(III) Complexes As Highly Potent Anticancer Agents.
• Authors of publication: Carrasco, Ana C.; Rodríguez-Fanjul, Vanessa; Habtemariam, Abraha; Pizarro, Ana M.
• Journal of publication: Journal of medicinal chemistry
• Year of publication: 2020
• a: 15.2558 ± 0.0009 Å
• b: 10.7013 ± 0.0007 Å
• c: 15.9682 ± 0.001 Å
• α: 90°
• β: 110.221 ± 0.003°
• γ: 90°
• Cell volume: 2446.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0736
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No