Information card for entry 7042029

Structure parameters

• Formula: C14 H38 B11 Cl N2 O
• Calculated formula: C14 H38 B11 Cl N2 O
• Title of publication: B-H functionalization of the monocarba-closo-dodecaborate anion by rhodium and iridium catalysis.
• Authors of publication: Shen, Yunjun; Pan, Yani; Zhang, Kang; Liang, Xuewei; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 10
• Pages of publication: 3135 - 3140
• a: 10.5179 ± 0.0011 Å
• b: 17.071 ± 0.002 Å
• c: 27.284 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4898.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2063
• Residual factor for significantly intense reflections: 0.137
• Weighted residual factors for significantly intense reflections: 0.385
• Weighted residual factors for all reflections included in the refinement: 0.4423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.399
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No