Information card for entry 7029324

Structure parameters

• Formula: C15 H25 B11 Ge N2
• Calculated formula: C15 H25 B11 Ge N2
• SMILES: [Ge]123([n]4c(c5cccc[n]15)cccc4)[BH]145[C]678[C]9%10(CCC6)[BH]6%11[BH]%12%133[BH]321[BH]125[BH]548[BH]479[BH]7%10%11[BH]86%13[BH]%1231[BH]25478
• Title of publication: Synthesis and structural characterization of 14-vertex germa-, stanna-, and plumba-carboranes.
• Authors of publication: Zheng, Fangrui; Xie, Zuowei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 13
• Pages of publication: 4986 - 4992
• a: 17.4672 ± 0.0012 Å
• b: 15.9393 ± 0.001 Å
• c: 17.5903 ± 0.0011 Å
• α: 90°
• β: 119.342 ± 0.001°
• γ: 90°
• Cell volume: 4269.1 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1089
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No