Information card for entry 4317276

Structure parameters

• Chemical name: bis[4-(4-pyridiniumethenyl)pyridine]{catena-[tris(mu-oxalato)dimanganate(II)]} ethanol water (1/0.8/0.4)
• Formula: C15.82 H13.8 Mn N2 O6.59
• Calculated formula: C15.8246 H11 Mn N2 O6.5873
• Title of publication: Influence of the Synthetic Conditions on the Structural Diversity of Extended Manganese-Oxalato-1,2-bis(4-pyridyl)ethylene Systems
• Authors of publication: Urko García-Couceiro; Oscar Castillo; Javier Cepeda; Mónica Lanchas; Antonio Luque; Sonia Pérez-Yáñez; Pascual Román; Daniel Vallejo-Sánchez
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 11346 - 11361
• a: 9.289 ± 0.003 Å
• b: 9.538 ± 0.002 Å
• c: 10.335 ± 0.003 Å
• α: 81.03 ± 0.02°
• β: 84.26 ± 0.02°
• γ: 66.16 ± 0.02°
• Cell volume: 826.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1116
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 0.827
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No