Information card for entry 7712212

Structure parameters

• Formula: C40 H43 F6 O7 P3 S2 Sn
• Calculated formula: C40 H43 F6 O7 P3 S2 Sn
• SMILES: [Sn]12([P](c3ccccc3)(c3ccccc3)CC[P]1(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F.O(CC)CC
• Title of publication: Synthesis, spectroscopic and structural properties of Sn(II) and Pb(II) triflate complexes with soft phosphine and arsine coordination.
• Authors of publication: Cairns, Kelsey R.; King, Rhys P.; Bannister, Robert D.; Levason, William; Reid, Gillian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 2293 - 2308
• a: 15.8064 ± 0.0005 Å
• b: 10.1469 ± 0.0002 Å
• c: 27.2193 ± 0.0006 Å
• α: 90°
• β: 91.081 ± 0.002°
• γ: 90°
• Cell volume: 4364.82 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1642
• Weighted residual factors for all reflections included in the refinement: 0.1681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No