Information card for entry 7035037

Structure parameters

• Formula: C26 H37 B11
• Calculated formula: C26 H37 B11
• SMILES: [BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%15%16[BH]%171([BH]125[BH]268[BH]9%11%14[BH]%15%1712)[C]4%13%16([C]37%10%12B(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1ccccc1
• Title of publication: Syntheses and reductions of C-dimesitylboryl-1,2-dicarba-closo-dodecaboranes.
• Authors of publication: Kahlert, Jan; Böhling, Lena; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate; Rendina, Louis M.; Low, Paul J.; Weber, Lothar; Fox, Mark A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 21
• Pages of publication: 9766 - 9781
• a: 9.6527 ± 0.0005 Å
• b: 13.7958 ± 0.0007 Å
• c: 20.2585 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2697.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No