Information card for entry 7220909

Structure parameters

• Formula: C32 H24 B2 F4 N8
• Calculated formula: C32 H24 B2 F4 N8
• SMILES: N1(N=C(N=[N]([B]1(F)F)c1ccccc1)c1cc(ccc1)C1=NN([B]([N](=N1)c1ccccc1)(F)F)c1ccccc1)c1ccccc1
• Title of publication: Synthesis and characterization of conjugated/cross-conjugated benzene-bridged boron difluoride formazanate dimers
• Authors of publication: Barbon, Stephanie M.; Price, Jacquelyn T.; Yogarajah, Umesh; Gilroy, Joe B.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 69
• Pages of publication: 56316
• a: 18.424 ± 0.007 Å
• b: 17.935 ± 0.007 Å
• c: 18.574 ± 0.006 Å
• α: 90°
• β: 110.646 ± 0.01°
• γ: 90°
• Cell volume: 5743 ± 4 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No