Information card for entry 7241245

Structure parameters

• Chemical name: <i>catena</i>-[aqua(<i>μ</i>~3~-thiophene-2-acetato-κ^4^O:O,O?:O?)\ (thiophene-2-acetato-κ^2^O,O?)lead(II)]
• Formula: C12 H12 O5 Pb S2
• Calculated formula: C12 H12 O5 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: 7.2703 ± 0.0013 Å
• b: 9.7597 ± 0.0017 Å
• c: 11.424 ± 0.002 Å
• α: 104.565 ± 0.015°
• β: 103.831 ± 0.015°
• γ: 99.589 ± 0.014°
• Cell volume: 739.3 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No