Information card for entry 7043735

Structure parameters

• Formula: C180 H144 Mn3 N42 Ni4 O18 P2
• Calculated formula: C132 H114 Mn3 N42 Ni4 O18
• 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: 18.9329 ± 0.0004 Å
• b: 20.4784 ± 0.0004 Å
• c: 25.2751 ± 0.0005 Å
• α: 92.0192 ± 0.0016°
• β: 98.658 ± 0.0017°
• γ: 104.521 ± 0.0016°
• Cell volume: 9351.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0765
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 0.709
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No