Information card for entry 7022328

Structure parameters

• Formula: C23 H33 B11 N2 Si
• Calculated formula: C23 H33 B11 N2 Si
• SMILES: [Si]([C]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%141([BH]1%152[BH]235[BH]368[BH]59%11[BH]%12%141[BH]%15235)[C]47%10%13B1N(c2c(N1c1ccccc1)cccc2)c1ccccc1)(C)(C)C
• Title of publication: Electrochemical and spectroelectrochemical studies of C-benzodiazaborolyl-ortho-carboranes.
• Authors of publication: Weber, Lothar; Kahlert, Jan; Böhling, Lena; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate; Harder, Rachel A.; Low, Paul J.; Fox, Mark A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 6
• Pages of publication: 2266 - 2281
• a: 32.7337 ± 0.001 Å
• b: 9.1743 ± 0.0003 Å
• c: 17.9601 ± 0.0006 Å
• α: 90°
• β: 92.527 ± 0.001°
• γ: 90°
• Cell volume: 5388.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0331
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No