Information card for entry 7101002

Structure parameters

• Formula: C55 H164 Au3 B33 Cl2 N3 P3 Sn3
• Calculated formula: C55 H164 Au3 B33 Cl2 N3 P3 Sn3
• SMILES: [Au]1234([Au]56([Au]1([Sn]178935[BH]35%10[BH]%11%121[BH]1%138[BH]8%149[BH]973[BH]37%14[BH]%1418[BH]1%11%13[BH]8%10%12[BH]593[BH]7%1418)([Sn]135746[BH]468[BH]9%101[BH]1%115[BH]5%127[BH]734[BH]34%12[BH]%1215[BH]19%11[BH]58%10[BH]673[BH]4%1215)[P](CC)(CC)CC)([Sn]13452[BH]267[BH]891[BH]1%103[BH]3%114[BH]452[BH]256[BH]678[BH]791[BH]1%103[BH]%1142[BH]5671)[P](CC)(CC)CC)[P](CC)(CC)CC.[NH+](CCCC)(CCCC)CCCC.[NH+](CCCC)(CCCC)CCCC.[NH+](CCCC)(CCCC)CCCC.C(Cl)Cl
• Title of publication: Formation of Novel Anionic Gold-Tin Cluster Compounds
• Authors of publication: S. Hagen; L. Wesemann; I. Pantenburg
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 15.6847 ± 0.0014 Å
• b: 16.7136 ± 0.0014 Å
• c: 21.813 ± 0.002 Å
• α: 100.469 ± 0.007°
• β: 97.728 ± 0.007°
• γ: 116.274 ± 0.006°
• Cell volume: 4890.1 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0801
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No