Information card for entry 8107691

Structure parameters

• Formula: C34 H26 F6 Ir N6 P
• Calculated formula: C34 H26 F6 Ir N6 P
• Title of publication: Crystal structure of (2-phenylimino methylquinoline-κ 2 N,N′)-bis(1–phenylpyrazole-κ 2 C,N)-iridium(III) hexafluorophosphate, C34H26F6IrN6P
• Authors of publication: Qian, Jun; Chen, Chunjie; Ma, Liang; Wang, Yida
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 6
• Pages of publication: 1165 - 1167
• a: 11.929 ± 0.002 Å
• b: 12.653 ± 0.003 Å
• c: 21.707 ± 0.004 Å
• α: 90°
• β: 105.48 ± 0.03°
• γ: 90°
• Cell volume: 3157.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0267
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.0461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No