Information card for entry 7062694

Structure parameters

• Formula: C41 H24 B F10 N3 O
• Calculated formula: C41 H24 B F10 N3 O
• Title of publication: Synthesis, structural, and photophysical properties of pyrazolyl bis(pentafluorophenyl)boron complexes
• Authors of publication: Murali, Anna Chandrasekar; Pratakshya, Preeta; Patel, Pratiksha; Nayak, Prakash; Peruncheralathan, Saravanan; Venkatasubbaiah, Krishnan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 38
• Pages of publication: 17835 - 17842
• a: 12.4589 ± 0.0013 Å
• b: 12.9868 ± 0.001 Å
• c: 12.6311 ± 0.0011 Å
• α: 90°
• β: 107.763 ± 0.01°
• γ: 90°
• Cell volume: 1946.3 ± 0.3 ų
• Cell temperature: 113 ± 18 K
• Ambient diffraction temperature: 113 ± 18 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0952
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.2032
• Weighted residual factors for all reflections included in the refinement: 0.2089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0403
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No