Information card for entry 4511169

Structure parameters

• Formula: C40 H54 As4 Cl6 N4 O28 Sn6
• Calculated formula: C40 H54 As4 Cl6 N4 O28 Sn6
• SMILES: C(c1ccc(cc1)N(=O)=O)[As]12=[O][Sn]345([O](CC)[Sn]678([O](CC)[Sn]([O]3CC)([O]48)(O1)([O]=[As](Cc1ccc(cc1)N(=O)=O)(O6)O[Sn]134([O](CC)[Sn]68(O2)([O](CC)[Sn]([O]1CC)([O]38)([O]=[As](Cc1ccc(cc1)N(=O)=O)(O4)O7)(O[As](Cc1ccc(N(=O)=O)cc1)(=[O]6)O5)Cl)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: 11.744 ± 0.005 Å
• b: 12.693 ± 0.006 Å
• c: 13.249 ± 0.008 Å
• α: 74.51 ± 0.02°
• β: 74.588 ± 0.019°
• γ: 76.046 ± 0.019°
• Cell volume: 1803.8 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No