Information card for entry 4511166

Structure parameters

• Formula: C40 H58 As4 Cl6 O20 Sn6
• Calculated formula: C40 H58 As4 Cl6 O20 Sn6
• SMILES: c1(ccccc1)C[As]12=[O][Sn]345([O](CC)[Sn]678([O](CC)[Sn]([O]3CC)([O]48)([O]=[As](Cc3ccccc3)(O6)O[Sn]346([O](CC)[Sn]89([O](CC)[Sn]([O]3CC)([O]49)([O]=[As](O8)(O5)Cc3ccccc3)(O[As](=[O]6)(Cc3ccccc3)O7)Cl)(Cl)O2)Cl)(O1)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: 10.076 ± 0.005 Å
• b: 13.819 ± 0.008 Å
• c: 14.216 ± 0.008 Å
• α: 61.469 ± 0.018°
• β: 77.05 ± 0.02°
• γ: 69.946 ± 0.018°
• Cell volume: 1629.2 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No