Information card for entry 7223222

Structure parameters

• Formula: C42 H34 Cl6 O4 P2 Sn2
• Calculated formula: C42 H34 Cl6 O4 P2 Sn2
• SMILES: c1(ccccc1)[Sn]([O]=P(Oc1ccc(OP(=[O][Sn](c2ccccc2)(Cl)(Cl)Cl)(c2ccccc2)c2ccccc2)cc1)(c1ccccc1)c1ccccc1)(Cl)(Cl)Cl
• Title of publication: Supramolecular assemblies of organotin(IV)-diphosphoryl adducts: Insights from X-rays and DFT
• Authors of publication: Gholivand, Khodayar; Gholami, Akram; Schenk, Kurt; Esrafili, Mehdi; Farshadfar, Kaveh
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 9.0016 ± 0.0012 Å
• b: 9.2252 ± 0.0012 Å
• c: 14.687 ± 0.002 Å
• α: 78.123 ± 0.01°
• β: 87.443 ± 0.011°
• γ: 67.904 ± 0.01°
• Cell volume: 1105.1 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 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: 0.0271
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No