Information card for entry 4315802

Structure parameters

• Formula: C50 H40 N18 Ni3 O20 S2
• Calculated formula: C50 H40 N18 Ni3 O20 S2
• Title of publication: Trinuclear Nickel(II) Complex through a 2,3,5,6-Tetrakis(2-pyridyl)pyrazine Ligand with a Linear Exchange Pathway
• Authors of publication: Lorena M. Callejo; Gotzon Madariaga; Luis Lezama; Luz Fidalgo; Noelia De la Pinta; Roberto Cortés
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5353 - 5355
• a: 25.1116 ± 0.0012 Å
• b: 10.8127 ± 0.0005 Å
• c: 25.2294 ± 0.0013 Å
• α: 90°
• β: 116.856 ± 0.005°
• γ: 90°
• Cell volume: 6111.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1506
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No