Information card for entry 4340083

Structure parameters

• Formula: C49 H29 Cu3 F48 Gd2 N4 O21
• Calculated formula: C49 H29 Cu3 F48 Gd2 N4 O21
• 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: 12.6928 ± 0.0004 Å
• b: 28.6403 ± 0.0009 Å
• c: 21.2567 ± 0.0006 Å
• α: 90°
• β: 95.135 ± 0.003°
• γ: 90°
• Cell volume: 7696.3 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.0942
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No