Information card for entry 7241459

Structure parameters

• Formula: C48 H80 Gd4 O58
• Calculated formula: C48 H12 Gd4 O58.372
• Title of publication: Lanthanide-based molecular alloys with hydroxyterephthalate: a versatile system
• Authors of publication: Wang, Jinzeng; Suffren, Yan; Daiguebonne, Carole; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Guillou, Olivier
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 1
• Pages of publication: 100 - 118
• a: 16.982 ± 0.002 Å
• b: 10.8156 ± 0.0015 Å
• c: 20.008 ± 0.002 Å
• α: 90°
• β: 105.231 ± 0.004°
• γ: 90°
• Cell volume: 3545.8 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No