Information card for entry 8107710

Structure parameters

• Formula: C30 H22 F6 Ir N7 P
• Calculated formula: C30 H22 F6 Ir N7 P
• Title of publication: Crystal structure of (2-(2-pyridine)-benzimidazole-κ 2 N,N′)-bis(1-phenylpyrazole-κ 2 C,N)iridium(III) hexafluorophosphate, C30H22F6IrN7P
• 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: 1229 - 1231
• a: 8.8876 ± 0.0003 Å
• b: 32.8428 ± 0.0009 Å
• c: 10.501 ± 0.0003 Å
• α: 90°
• β: 106.623 ± 0.002°
• γ: 90°
• Cell volume: 2937.08 ± 0.16 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0957
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No