Information card for entry 4324251

Structure parameters

• Formula: C52 H170 Au2 B44 N8 Sn4
• Calculated formula: C52 H170 Au2 B44 N8 Sn4
• SMILES: [N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.N#CC.[BH]1234[BH]567[BH]89%10[BH]%11%126[BH]615[BH]154[BH]4%133[Sn]3278([Au]2([Au]3([Sn]378%142[BH]2%15%16[BH]%17%183[BH]3%197[BH]7%208[BH]8%142[BH]2%14%20[BH]%20%197[BH]7%183[BH]3%15%17[BH]%1682[BH]%14%2073)[Sn]2378[BH]%14%15%16[BH]%17%182[BH]2%193[BH]3%207[BH]78%14[BH]8%14%20[BH]%20%193[BH]3%182[BH]2%15%17[BH]%1678[BH]%14%2032)[Sn]2378[BH]%14%15%16[BH]%17%182[BH]2%193[BH]3%207[BH]78%14[BH]8%14%20[BH]%20%193[BH]3%182[BH]2%15%17[BH]%1678[BH]%14%2032)[BH]294[BH]31%13[BH]%10%112[BH]%12653.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.N#CC
• Title of publication: Homoleptic Coinage Metal Compounds of Group(IV) heteroborates
• Authors of publication: Hartmut Schubert; Jörg-Alexander Dimmer; Fritz-Robert Küchle; Klaus Eichele; Lars Wesemann
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 664 - 670
• a: 11.1078 ± 0.0007 Å
• b: 26.7184 ± 0.0012 Å
• c: 17.1513 ± 0.0009 Å
• α: 90°
• β: 100.348 ± 0.005°
• γ: 90°
• Cell volume: 5007.4 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0644
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No