Information card for entry 4000910

Structure parameters

• Formula: C10 H8 Mn N2 O7.2 V2
• Calculated formula: C10 H8 Mn N2 O7.2 V2
• Title of publication: Short-Range and Long-Range Magnetic Ordering, in Third Generation Brannerite Type Inorganic−Organic Vanadates: [{Mn(Bpy)}(VO3)2]≈(H2O)1.16and [{Mn(Bpy)0.5}(VO3)2]≈(H2O)0.62
• Authors of publication: Fernández de Luis, Roberto; Urtiaga, M. Karmele; Mesa, José L.; Vidal, Karmele; Lezama, Luis; Rojo, Teófilo; Arriortua, María I.
• Journal of publication: Chemistry of Materials
• Year of publication: 2010
• Journal volume: 22
• Journal issue: 19
• Pages of publication: 5543
• a: 16.706 ± 0.005 Å
• b: 3.5265 ± 0.0004 Å
• c: 11.558 ± 0.005 Å
• α: 90°
• β: 100.77 ± 0.05°
• γ: 90°
• Cell volume: 668.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0921
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 0.84
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No