Information card for entry 4336142

Structure parameters

• Formula: C79 H48 B4 Cl17 D3 F8 N12 O4 Zn4
• Calculated formula: C79 H51 B4 Cl17 F8 N12 O4 Zn4
• Title of publication: Heteroleptic (2-Fluoro-3-pyridyl)arylborinic 8-Oxyquinolinates for the Potential Application in Organic Light-Emitting Devices
• Authors of publication: Grzegorz Wesela-Bauman; Paulina Ciećwierz; Krzysztof Durka; Sergiusz Luliński; Janusz Serwatowski; Krzysztof Woźniak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 10846 - 10859
• a: 9.5534 ± 0.0005 Å
• b: 11.982 ± 0.0006 Å
• c: 24.2893 ± 0.001 Å
• α: 91.785 ± 0.004°
• β: 97.598 ± 0.004°
• γ: 104.196 ± 0.005°
• Cell volume: 2665.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2932
• Residual factor for significantly intense reflections: 0.1149
• Weighted residual factors for significantly intense reflections: 0.2657
• Weighted residual factors for all reflections included in the refinement: 0.351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No