Information card for entry 1557717

Structure parameters

• Common name: ACC_73_150K
• Formula: C27.75 H28.75 Cl2.25 F6 Ir N2 P
• Calculated formula: C27.75 H28.75 Cl2.25 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: 8.8214 ± 0.0002 Å
• b: 12.811 ± 0.0004 Å
• c: 13.5282 ± 0.0004 Å
• α: 81.1829 ± 0.0016°
• β: 82.9683 ± 0.0014°
• γ: 87.8789 ± 0.0015°
• Cell volume: 1499.15 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No