Information card for entry 7029327

Structure parameters

• Formula: C15 H25 B11 N2 Sn
• Calculated formula: C15 H25 B11 N2 Sn
• SMILES: [Sn]123([n]4ccccc4c4[n]1cccc4)[BH]145[BH]67[C]89%10[C]%11%12(CCC8)[BH]8%133[BH]321[BH]125[BH]547[BH]46%10[BH]69%11[BH]7%12%13[BH]831[BH]25467
• 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: 8.5813 ± 0.0011 Å
• b: 15.991 ± 0.002 Å
• c: 15.854 ± 0.002 Å
• α: 90°
• β: 91.174 ± 0.002°
• γ: 90°
• Cell volume: 2175.1 ± 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: 0.0808
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.2291
• Weighted residual factors for all reflections included in the refinement: 0.2317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No