Information card for entry 4350091

Structure parameters

• Chemical name: (dipyrido[3,2-a:2',3'-c]phenazine-κ^2^N,N')-bis{1-methyl-2-(naphthalen-2-yl)-1H-benzo[d]imidazole-κN,C)}-iridium(III) hexafluorophosphate 3(1,2-dichloroethane) 0.33hexane solvate
• Formula: C62 H48 Cl6 F6 Ir N8 P
• Calculated formula: C62 H48 Cl6 F6 Ir N8 P
• Title of publication: Molecular superoxide radical photogeneration in cancer cells by dipyridophenazine iridium(iii) complexes
• Authors of publication: Novohradsky, Vojtech; Vigueras, Gloria; Pracharova, Jitka; Cutillas, Natalia; Janiak, Christoph; Kostrhunova, Hana; Brabec, Viktor; Ruiz, Jose; Kasparkova, Jana
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 9
• Pages of publication: 2500
• a: 14.2342 ± 0.0014 Å
• b: 15.3701 ± 0.0015 Å
• c: 15.5819 ± 0.0015 Å
• α: 65.102 ± 0.003°
• β: 83.431 ± 0.003°
• γ: 78.541 ± 0.003°
• Cell volume: 3028.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0424
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No