Information card for entry 7010182

Structure parameters

• Formula: C74 H62 O3 P4 S4
• Calculated formula: C74 H62 O3 P4 S4
• SMILES: P(=O)(C(=S)[S-])(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O
• 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: 9.1216 ± 0.0014 Å
• b: 41.242 ± 0.008 Å
• c: 9.3324 ± 0.0012 Å
• α: 90°
• β: 117.221 ± 0.011°
• γ: 90°
• Cell volume: 3122 ± 0.9 ų
• Cell temperature: 122 ± 1 K
• Ambient diffraction temperature: 122 ± 1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.887
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No