Information card for entry 7040352

Structure parameters

• Common name: ThenilmIrPPy_LN_sq
• Formula: C113 H88 F12 Ir2 N12 P2 S4
• Calculated formula: C113 H88 F12 Ir2 N12 P2 S4
• Title of publication: Cyclometallated iridium complexes inducing paraptotic cell death like natural products: synthesis, structure and mechanistic aspects.
• Authors of publication: Tripathy, Suman Kumar; De, Umasankar; Dehury, Niranjan; Laha, Paltan; Panda, Manas Kumar; Kim, Hyung Sik; Patra, Srikanta
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 38
• Pages of publication: 15122 - 15136
• a: 49.358 ± 0.008 Å
• b: 49.358 ± 0.008 Å
• c: 11.9179 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 25145 ± 7 ų
• Cell temperature: 77 ± 2 K
• Ambient diffraction temperature: 77 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1132
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No