Information card for entry 7043736

Structure parameters

• Formula: C32 H28 Cu2 N12 O8
• Calculated formula: C32 H28 Cu2 N12 O8
• 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: 7.6178 ± 0.0019 Å
• b: 11.658 ± 0.003 Å
• c: 11.819 ± 0.003 Å
• α: 116.889 ± 0.005°
• β: 100.695 ± 0.005°
• γ: 101.227 ± 0.005°
• Cell volume: 872.2 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1195
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.1881
• Weighted residual factors for all reflections included in the refinement: 0.2182
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No