Information card for entry 7029325

Structure parameters

• Formula: C17 H29 B11 Ge N2
• Calculated formula: C17 H29 B11 Ge N2
• SMILES: [Ge]123([n]4c(c5[n]1ccc(c5)C)cc(cc4)C)[BH]145[BH]672[BH]283[BH]39[BH]%10%118[BH]872[BH]246[BH]461[BH]17%12[BH]3%10([BH]%118241)[C]197[C]56%12CCC1
• 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: 8.2594 ± 0.0004 Å
• b: 11.4681 ± 0.0006 Å
• c: 13.2891 ± 0.0006 Å
• α: 89.213 ± 0.003°
• β: 75.426 ± 0.003°
• γ: 71.489 ± 0.003°
• Cell volume: 1152.2 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No