Information card for entry 4331925

Structure parameters

• Formula: C25 H19 B Cl3 N O3
• Calculated formula: C25 H19 B Cl3 N O3
• SMILES: [B]12(Oc3ccccc3c3[n]2c(ccc3)c2ccccc2O1)c1ccccc1OC.C(Cl)(Cl)Cl
• Title of publication: Synthesis, Structures, and Luminescent Properties of Phenol−Pyridyl Boron Complexes
• Authors of publication: Zhang, Hongyu; Huo, Cheng; Ye, Kaiqi; Zhang, Peng; Tian, Wenjing; Wang, Yue
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 7
• Pages of publication: 2788 - 2794
• a: 9.3095 ± 0.0019 Å
• b: 11.609 ± 0.002 Å
• c: 12 ± 0.002 Å
• α: 65.96 ± 0.03°
• β: 74.95 ± 0.03°
• γ: 75.2 ± 0.03°
• Cell volume: 1127.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 0.807
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No