Information card for entry 2109026

Structure parameters

• Formula: C21 H18 N4 O2 Pb S
• Calculated formula: C21 H18 N4 O2 Pb S
• Title of publication: The tetrel bonding role in supramolecular aggregation of lead(II) acetate and a thiosemicarbazide derivative
• Authors of publication: Mahmoudi, Ghodrat; García-Santos, Isabel; Pittelkow, Michael; Kamounah, Fadhil S.; Zangrando, Ennio; Babashkina, Maria G.; Frontera, Antonio; Safin, Damir A.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 4
• Pages of publication: 685 - 694
• a: 7.9341 ± 0.0003 Å
• b: 8.014 ± 0.0003 Å
• c: 15.3431 ± 0.0006 Å
• α: 90°
• β: 91.259 ± 0.001°
• γ: 90°
• Cell volume: 975.34 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0157
• Residual factor for significantly intense reflections: 0.0146
• Weighted residual factors for significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.0336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes