Information card for entry 7241246

Structure parameters

• Chemical name: <i>catena</i>-[bis(<i>μ</i>~2~-thiophene-3-acetato-κ^3^O:O,O?)lead(II)]
• Formula: C12 H10 O4 Pb S2
• Calculated formula: C12 H10 O4 Pb S2
• Title of publication: Exploring thiophene-2-acetate and thiophene-3-acetate binding modes towards the molecular, supramolecular structures and photoluminescence properties of Pb(II) polymers
• Authors of publication: Kowalik, Mateusz; Masternak, Joanna; Kazimierczuk, Katarzyna; Kupcewicz, Bogumila; Khavryuchenko , Oleksiy; Barszcz, Barbara
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 16.8469 ± 0.0018 Å
• b: 10.3757 ± 0.0007 Å
• c: 7.8131 ± 0.0009 Å
• α: 90°
• β: 101.473 ± 0.009°
• γ: 90°
• Cell volume: 1338.4 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No