Information card for entry 1560494

Structure parameters

• Formula: C50 H46 Cl4 Li2 O18 Zn2
• Calculated formula: C50 H46 Cl4 Li2 O18 Zn2
• SMILES: c1(ccccc1C(=[O][Li]123)OC)[O]14[Zn]15([O]2c2ccccc2C(=[O]5)OC)([O]([Li]256)c7ccccc7C(=[O]1)OC)[O]2(c1ccccc1C(=[O]5)OC)[Zn]124([O]6c4ccccc4C(=[O]2)OC)[O]3c2ccccc2C(=[O]1)OC.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: 11.011 ± 0.003 Å
• b: 11.886 ± 0.003 Å
• c: 12.07 ± 0.003 Å
• α: 74.65 ± 0.02°
• β: 66.16 ± 0.02°
• γ: 63.99 ± 0.02°
• Cell volume: 1291.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No