Information card for entry 4511021

Structure parameters

• Formula: C35.25 H34.5 Cl0.5 F3 Ir N4 O3 S
• Calculated formula: C34 H34 Ir N4 O2
• Title of publication: Water-based oxygen-sensor films.
• Authors of publication: Habibagahi, Arezoo; Mébarki, Youssef; Sultan, Yasir; Yap, Glenn P. A.; Crutchley, Robert J.
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2009
• Journal volume: 1
• Journal issue: 8
• Pages of publication: 1785 - 1792
• a: 15.164 ± 0.005 Å
• b: 17.083 ± 0.006 Å
• c: 17.242 ± 0.006 Å
• α: 117.569 ± 0.005°
• β: 104.876 ± 0.005°
• γ: 100.075 ± 0.005°
• Cell volume: 3595 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No