Information card for entry 7005755

Structure parameters

• Formula: C7 H16 B9 N
• Calculated formula: C7 H16 B9 N
• SMILES: [C]123([CH]45[BH]672[BH]289[BH]%1016[BH]169[BH]9%118[BH]472[BH]59[BH]1%11[BH]3%106)c1cccc[nH+]1
• Title of publication: Synthesis and investigation of the boron cluster anion [7-(2'-pyridyl)-7,8-nido-dicarbaundecaborate] and its protonated form.
• Authors of publication: Viñas, Clara; Laromaine, Anna; Teixidor, Francesc; Horáková, Hana; Langauf, Ales; Vespalec, Radim; Mata, Ignasi; Molins, Elies
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 31
• Pages of publication: 3369 - 3377
• a: 7.513 Å
• b: 18.803 Å
• c: 8.653 Å
• α: 90°
• β: 99.12°
• γ: 90°
• Cell volume: 1206.93 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1419
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No