Information card for entry 7712213

Structure parameters

• Formula: C46 H45 F6 N O6 P4 Pb S2
• Calculated formula: C46 H45 F6 N O6 P4 Pb S2
• SMILES: [Pb]12([P](c3ccccc3)(c3ccccc3)CC[P]1(CC[P]2(c1ccccc1)c1ccccc1)CC[P](c1ccccc1)c1ccccc1)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F.N#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: 16.3354 ± 0.0005 Å
• b: 14.2959 ± 0.0003 Å
• c: 21.6774 ± 0.0005 Å
• α: 90°
• β: 102.94 ± 0.002°
• γ: 90°
• Cell volume: 4933.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No