Information card for entry 4328482

Structure parameters

• Formula: C26 H2 B F18 N4 Tl
• Calculated formula: C26 H2 B F18 N4 Tl
• SMILES: c1(c(c(c(c(c1F)F)F)F)F)c1c2c(c(c(c(F)c2[n]2n1[BH2]n1c(c3c(c(c(c(c3F)F)F)F)F)c3c(c(c(c(F)c3[n]1[Tl]2)F)F)F)F)F)F
• 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: 27.6965 ± 0.0008 Å
• b: 7.4316 ± 0.0002 Å
• c: 26.0402 ± 0.0009 Å
• α: 90°
• β: 97.359 ± 0.005°
• γ: 90°
• Cell volume: 5315.7 ± 0.3 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 6
• 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: 0.0393
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No