Information card for entry 4511165

Structure parameters

• Formula: C24 H58 As4 Cl6 O20 Sn6
• Calculated formula: C24 H58 As4 Cl6 O20 Sn6
• SMILES: C(CC)[As]12=[O][Sn]345([O](CC)[Sn]678([O](CC)[Sn]([O]3CC)([O]48)(O1)([O]=[As](CCC)(O[Sn]134([O](CC)[Sn]89([O](CC)[Sn]([O]1CC)([O]38)([O]=[As](CCC)(O4)O6)(O[As](CCC)(=[O]9)O5)Cl)(O2)Cl)Cl)O7)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: 21.872 ± 0.012 Å
• b: 18.304 ± 0.008 Å
• c: 15.823 ± 0.008 Å
• α: 90°
• β: 118.884 ± 0.018°
• γ: 90°
• Cell volume: 5547 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2048
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.1761
• Weighted residual factors for all reflections included in the refinement: 0.2254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No