Information card for entry 4511170

Structure parameters

• Formula: C62 H94 As6 O26 Sn7
• Calculated formula: C62 H92 As6 O26 Sn7
• SMILES: c1(ccccc1)[Sn]1234O[As]5(=[O][Sn]67([O]3CC)([O](CC)[Sn]3(c8ccccc8)([O]46)(O5)[O]=[As](CCC)(O2)O[Sn]24([O]=[As](O1)(O7)CCC)(O[As]1(=[O][Sn]567([O](CC)[Sn]89(c%10ccccc%10)([O]6[Sn](c6ccccc6)([O]5CC)([O]=[As](O7)(O8)CCC)(O[As](CCC)(O9)=[O]2)O4)O1)c1ccccc1)CCC)O3)c1ccccc1)CCC
• 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: 12.013 ± 0.006 Å
• b: 13.839 ± 0.009 Å
• c: 15.064 ± 0.007 Å
• α: 77.35 ± 0.02°
• β: 76.123 ± 0.016°
• γ: 64.687 ± 0.019°
• Cell volume: 2178 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.125
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No