Information card for entry 7250820

Structure parameters

• Formula: C56 H56 O8 P4 Pb2 S8
• Calculated formula: C56 H56 O8 P4 Pb2 S8
• Title of publication: Establishing σ-hole tetrel bonds by hemidirected lead(ii) phosphonodithioates
• Authors of publication: Kumar, Pretam; Gomila, Rosa M.; Frontera, Antonio; Pandey, Sushil K.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 38
• Pages of publication: 6386 - 6396
• a: 10.3663 ± 0.0005 Å
• b: 23.2716 ± 0.0012 Å
• c: 13.824 ± 0.0006 Å
• α: 90°
• β: 103.996 ± 0.004°
• γ: 90°
• Cell volume: 3235.9 ± 0.3 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 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: 0.1234
• Residual factor for significantly intense reflections: 0.0899
• Weighted residual factors for significantly intense reflections: 0.2264
• Weighted residual factors for all reflections included in the refinement: 0.2502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.299
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No