Information card for entry 4328484

Structure parameters

• Formula: C13 H F9 N2
• Calculated formula: C13 H F9 N2
• SMILES: c1(c(c(c(c(c1F)F)F)F)F)c1c2c(c(c(c(c2F)F)F)F)[nH]n1
• Title of publication: Highly Fluorinated Aryl-Substituted Tris(indazolyl)borate Thallium Complexes: Diverse Regiochemistry at the B-N Bond
• Authors of publication: Wilfried-Solo Ojo; Kane Jacob; Emmanuelle Despagnet-Ayoub; Bianca K. Muñoz; Sergio Gonell; Laure Vendier; Viet-Hoang Nguyen; Michel Etienne
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 2893 - 2901
• a: 3.8186 ± 0.0001 Å
• b: 12.3676 ± 0.0003 Å
• c: 13.7752 ± 0.0004 Å
• α: 67.237 ± 0.003°
• β: 82.115 ± 0.002°
• γ: 89.001 ± 0.002°
• Cell volume: 593.77 ± 0.03 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No