Information card for entry 4077158

Structure parameters

• Formula: C16 H22 B10
• Calculated formula: C16 H20 B10
• SMILES: [BH]1234[C]5678Cc9ccccc9c9c(C[C]%10%1138[BH]385[BH]5%12%10[BH]%102%11[BH]2%115[B]5%13%14[BH]16([BH]735[BH]8%122%13)[BH]4%10%11%14)cccc9
• Title of publication: Synthesis, Structural Characterization, and Reactivity of ‘Carbons-Adjacent'nido- andarachno-Carborane Anions of the C2B10Systems and Their Metal Complexes
• Authors of publication: Zi, Guofu; Li, Hung-Wing; Xie, Zuowei
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 24
• Pages of publication: 5415
• a: 6.6799 ± 0.0013 Å
• b: 12.698 ± 0.003 Å
• c: 21.689 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1839.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1281
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1935
• Weighted residual factors for all reflections included in the refinement: 0.2282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No