Information card for entry 4075914

Structure parameters

• Formula: C22 H25 O2 P Se2 Sn
• Calculated formula: C22 H25 O2 P Se2 Sn
• SMILES: [Sn]([Se]P(=[Se])(OCC)OCC)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Syntheses, Structures, and VT NMR Studies of Diselenophosphates of Group 14 Organometals. DFT Calculations for Gas-Phase Stability of Dinuclear Ions, [(Ph3M)2{μ-Se, Se-P(OR)2}]+(M = Ge, Sn, and Pb)
• Authors of publication: Liu, C. W.; Lobana, Tarlok S.; Xiao, Jie-Liang; Liu, Hong-Yuan; Liaw, Ben-Jie; Hung, Chiu-Ming; Lin, Zhenyang
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 16
• Pages of publication: 4072
• a: 9.498 ± 0.0018 Å
• b: 10.2047 ± 0.0016 Å
• c: 13.0089 ± 0.0019 Å
• α: 97.55 ± 0.012°
• β: 91.667 ± 0.016°
• γ: 98.835 ± 0.013°
• Cell volume: 1233.6 ± 0.4 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: 0.0377
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No