Information card for entry 7055364

Structure parameters

• Formula: C38 H36 B2 N4
• Calculated formula: C38 H36 B2 N4
• SMILES: [B]1(c2ccccc2)(c2ccccc2)n2c(cc(C)c2C=[N]1[N]1[B](c2ccccc2)(c2ccccc2)n2c(C=1)c(C)cc2C)C
• Title of publication: Synthesis and spectroscopic properties of novel N‒N linked bis-(diphenylboron) complexes
• Authors of publication: Gai, Lizhi; Xu, Jialiang; Wu, Yanping; Lu, Hua; Shen, Zhen
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 7
• Pages of publication: 5752
• a: 11.471 ± 0.003 Å
• b: 22.263 ± 0.005 Å
• c: 12.589 ± 0.003 Å
• α: 90°
• β: 94.037 ± 0.004°
• γ: 90°
• Cell volume: 3207 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1145
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No