Information card for entry 4072979

Structure parameters

• Common name: 1-(1,12-dicarba-closo-dodecaboran-2-yl)benzimidazole
• Formula: C9 H16 B10 N2
• Calculated formula: C9 H16 B10 N2
• SMILES: n1([B]2345[BH]678[BH]9%10%11[BH]%12%13%14[BH]%152([BH]2%16%13[BH]%13%10%12[BH]%1079[BH]736[BH]4%152[CH]%16%13%107)[CH]58%11%14)cnc2c1cccc2
• Title of publication: Palladium-Catalyzed Amination of 2-Iodo-para-carborane
• Authors of publication: Beletskaya, Irina P.; Bregadze, Vladimir I.; Kabytaev, Kuanysh Z.; Zhigareva, Galina G.; Petrovskii, Pavel V.; Glukhov, Ivan V.; Starikova, Zoya A.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 9
• Pages of publication: 2340
• a: 7.1667 ± 0.001 Å
• b: 9.1418 ± 0.0012 Å
• c: 10.9767 ± 0.0014 Å
• α: 86.316 ± 0.003°
• β: 76.466 ± 0.003°
• γ: 77.876 ± 0.003°
• Cell volume: 683.5 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0953
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No