Information card for entry 2228716

Structure parameters

• Chemical name: Di-μ-thiocyanato-bis{[1,2-bis(diisopropylphosphanyl)-1,2-dicarba- <i>closo</i>-dodecaborane]silver(I)}
• Formula: C30 H76 Ag2 B20 N2 P4 S2
• Calculated formula: C30 H76 Ag2 B20 N2 P4 S2
• SMILES: [BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%158[BH]859[BH]526[BH]261[BH]%11%14([C]3%122[P]([Ag]1([P]([C]47%10%13)(C(C)C)C(C)C)SC#[N][Ag]2([P]([C]347[BH]9%10%11[BH]%12%13%14[BH]%16%17%18[BH]%193([BH]3%20%16[BH]%16%12%17[BH]%12%10%13[BH]%1049[BH]7%193[BH]%20%16%12%10)[C]%11%14%18[P]2(C(C)C)C(C)C)(C(C)C)C(C)C)SC#[N]1)(C(C)C)C(C)C)[BH]%15856
• Title of publication: Di-μ-thiocyanato-bis{[1,2-bis(diisopropylphosphanyl)-1,2-dicarba-<i>closo</i>-dodecaborane]silver(I)}
• Authors of publication: Yang, Liguo; Zhu, Chengchen; Li, Dacheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m2
• a: 7.8075 ± 0.0009 Å
• b: 34.22 ± 0.003 Å
• c: 10.6886 ± 0.0012 Å
• α: 90°
• β: 110.074 ± 0.001°
• γ: 90°
• Cell volume: 2682.2 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.0845
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes