Information card for entry 7048961

Structure parameters

• Formula: C41 H41 F4 Ir N6 O4 S
• Calculated formula: C41 H41 F4 Ir N6 O4 S
• Title of publication: Blue-emitting bolaamphiphilic zwitterionic iridium(iii) complex.
• Authors of publication: Darmawan, Noviyan; Sambri, Letizia; Daniliuc, Constantin G.; De Cola, Luisa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 11
• Pages of publication: 3664 - 3670
• a: 30.6832 ± 0.0007 Å
• b: 17.0543 ± 0.0003 Å
• c: 17.4993 ± 0.0002 Å
• α: 90°
• β: 98.576 ± 0.002°
• γ: 90°
• Cell volume: 9054.7 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• 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: 0.0884
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No