Information card for entry 4340082

Structure parameters

• Formula: C116 H84 Cu2 F96 Gd4 N16 O40
• Calculated formula: C116 H84 Cu2 F96 Gd4 N16 O40
• Title of publication: New Families of Hetero-tri-spin 2p-3d-4f Complexes: Synthesis, Crystal Structures, and Magnetic Properties.
• Authors of publication: Escobar, Lívia B L; Guedes, Guilherme P.; Soriano, Stéphane; Speziali, Nivaldo L.; K Jordão, Alessandro; Cunha, Anna Claudia; Ferreira, Vitor F.; Maxim, Catalin; Novak, Miguel A.; Andruh, Marius; Vaz, Maria G. F.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 7508 - 7517
• a: 11.494 ± 0.0006 Å
• b: 16.7552 ± 0.0007 Å
• c: 23.5889 ± 0.0012 Å
• α: 102.762 ± 0.004°
• β: 98.792 ± 0.004°
• γ: 93.612 ± 0.004°
• Cell volume: 4356.4 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No