Information card for entry 7719343

Structure parameters

• Formula: C56 H62 Cl2 Ir2 N8 O8
• Calculated formula: C52 H38 Cl2 Ir2 N8
• Title of publication: Butterfly-like photo-responsive cyclometalated Ir(III) complex: emergence of a future cancer therapeutic agent.
• Authors of publication: U, Sreelekha; Das, Rishav; Latha Laxmi, Indrani Paramasivan; Roy, Nilmadhab; Roy, Riona; Mathivathanan, Logesh; Ramasamy, Tamizhselvi; Chakrabarty, Rinku; Paira, Priyankar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 39
• Pages of publication: 14728 - 14739
• a: 27.918 ± 0.005 Å
• b: 27.918 ± 0.005 Å
• c: 14.433 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11249 ± 4 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No