Information card for entry 7043734

Structure parameters

• Formula: C52 H53 Gd N19 Ni2 O17.5
• Calculated formula: C52 H38 Gd N19 Ni2 O17.5
• Title of publication: Synthetic ability of dinuclear mesocates containing 1,3-bis(diazinecarboxamide)benzene bridging ligands to form complexes of increased nuclearity. Crystal structures, magnetic properties and theoretical studies.
• Authors of publication: Palacios, Maria A.; Morlieras, Jessica; Herrera, Juan Manuel; Mota, Antonio J.; Brechin, Euan K.; Triki, Smail; Colacio, Enrique
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 13.3895 ± 0.0007 Å
• b: 24.9529 ± 0.0009 Å
• c: 20.7809 ± 0.001 Å
• α: 90°
• β: 107.632 ± 0.005°
• γ: 90°
• Cell volume: 6616.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1784
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.1843
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No