Information card for entry 7029328

Structure parameters

• Formula: C31 H41 B11 P2 Sn
• Calculated formula: C31 H41 B11 P2 Sn
• SMILES: [Sn]123([P](CCP(c4ccccc4)c4ccccc4)(c4ccccc4)c4ccccc4)[BH]456[C]789[C]%10%11(CCC7)[BH]7%123[BH]3%132[BH]214[BH]146[BH]659[BH]58%10[BH]8%11%12[BH]97%13[BH]321[BH]46589
• 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: 12.8513 ± 0.0007 Å
• b: 12.7936 ± 0.0006 Å
• c: 21.5982 ± 0.0011 Å
• α: 90°
• β: 103.502 ± 0.001°
• γ: 90°
• Cell volume: 3452.9 ± 0.3 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: 0.0534
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No