Information card for entry 7010183

Structure parameters

• Formula: C38 H30 O2 P2 Pb S4
• Calculated formula: C38 H30 O2 P2 Pb S4
• SMILES: [Pb]12(SC(=S)P(=[O]1)(c1ccccc1)c1ccccc1)(SC(=S)P(=[O]2)(c1ccccc1)c1ccccc1)(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: 14.403 ± 0.003 Å
• b: 17.634 ± 0.005 Å
• c: 14.42 ± 0.004 Å
• α: 90°
• β: 90.03 ± 0.02°
• γ: 90°
• Cell volume: 3662.4 ± 1.6 ų
• Cell temperature: 122 ± 1 K
• Ambient diffraction temperature: 122 ± 1 K
• Number of distinct elements: 6
• 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: 0.0582
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No