Information card for entry 1560496

Structure parameters

• Formula: C34 H32 Cl4 Na2 O12 Zn
• Calculated formula: C34 H32 Cl4 Na2 O12 Zn
• SMILES: [Zn](Oc1ccccc1C(=O)OC)(Oc1ccccc1C(=O)OC)(Oc1ccccc1C(=O)OC)Oc1ccccc1C(=O)OC.[Na+].[Na+].C(Cl)Cl.C(Cl)Cl
• Title of publication: Solvothermal Alcoholysis Method for Recycling High-Consistency Silicone Rubber Waste
• Authors of publication: Petrus, Rafał; Utko, Józef; Gniłka, Radosław; Fleszar, Mariusz G.; Lis, Tadeusz; Sobota, Piotr
• Journal of publication: Macromolecules
• Year of publication: 2021
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 2449 - 2465
• a: 16.603 ± 0.002 Å
• b: 17.941 ± 0.003 Å
• c: 25.607 ± 0.005 Å
• α: 90°
• β: 90.3 ± 0.02°
• γ: 90°
• Cell volume: 7628 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.056
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No