Information card for entry 7712968

Structure parameters

• Formula: C55 H38 B2 Br2 Cl2 F4 N6 O2
• Calculated formula: C55 H38 B2 Br2 Cl2 F4 N6 O2
• Title of publication: 2-Hydroxyphenyl Benzimidazoles and their Boron Complexes: Synthesis, Structure, Aggregation-Induced Emission and Picric acid Sensing
• Authors of publication: Arumugam, Ramar; Nayak, Prakash; Dey, Bijoy; Kannan, Ramkumar; Venkatasubbaiah, Krishnan; Chandrasekhar, Vadapalli
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 9.1247 ± 0.0002 Å
• b: 11.5918 ± 0.0003 Å
• c: 13.4085 ± 0.0004 Å
• α: 111.653 ± 0.003°
• β: 93.085 ± 0.002°
• γ: 108.122 ± 0.002°
• Cell volume: 1229.75 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.099
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.2163
• Weighted residual factors for all reflections included in the refinement: 0.227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No