Information card for entry 4511167

Structure parameters

• Formula: C18 H46 As4 Cl6 O20 Sn6
• Calculated formula: C18 H46 As4 Cl6 O20 Sn6
• SMILES: C(CC)[As]12=[O][Sn]345([O]=[As]6(CCC)O[Sn]78(Cl)(O1)[O](C)[Sn]19%10([O](C)[Sn]([O]8C)([O]71)(O6)([O]=[As](CCC)(O9)O[Sn]16([O]3C)([O](C)[Sn]([O]4C)([O]51)([O]=[As](CCC)(O6)O%10)(O2)Cl)Cl)Cl)Cl)Cl
• Title of publication: Tin Alkylarsonate Clusters: C−H···X (X = Cl, O, and π) Interaction-Mediated Supramolecular Formation
• Authors of publication: Xie, Yun-Peng; Yang, Jin; Ma, Jian-Fang; Ma, Ji-Cheng; Zhang, Lai-Ping; Jia, Zhi-Fang; Su, Zhong-Min
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 3881
• a: 9.314 ± 0.003 Å
• b: 22.966 ± 0.008 Å
• c: 11.919 ± 0.004 Å
• α: 90°
• β: 101.282 ± 0.014°
• γ: 90°
• Cell volume: 2500.3 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No