Information card for entry 7010184

Structure parameters

• Formula: C25 H20 Cl O P Pb S2
• Calculated formula: C25 H20 Cl O P Pb S2
• SMILES: [Pb]1(Cl)(SC(P(=[O]1)(c1ccccc1)c1ccccc1)=S)(c1ccccc1)c1ccccc1
• Title of publication: Lead(IV) complexes with phosphinoyldithioformates, R2P(O)CS2− (R = Ph or PhCH2). Syntheses and characterization. Crystal structures of [PPh4][S2CP(O)Ph2]·0.5H2O, [PbPh2{S2CP(O)Ph2}2] and [PbPh2Cl{S2CP(O)Ph2}]
• Authors of publication: Ólafsson, Sigurjón Norberg; Flensburg, Claus; Andersen, Peter
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 23
• Pages of publication: 4360
• a: 14.911 ± 0.003 Å
• b: 8.2427 ± 0.0017 Å
• c: 20.384 ± 0.004 Å
• α: 90°
• β: 103.468 ± 0.016°
• γ: 90°
• Cell volume: 2436.4 ± 0.9 ų
• Cell temperature: 122 ± 1 K
• Ambient diffraction temperature: 122 ± 1 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: 0.039
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0374
• Weighted residual factors for all reflections included in the refinement: 0.0391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No