Information card for entry 4341854

Structure parameters

• Formula: C34 H16 F12 Mn2 O8
• Calculated formula: C34 H16 F12 Mn2 O8
• Title of publication: Unusual Magnetic Behaviors and Electronic Configurations Driven by Diverse Co(II) or Mn(II) MOF Architectures.
• Authors of publication: Bernini, María Celeste; de Paz, Julio Romero; Snejko, Natalia; Sáez-Puche, Regino; Gutierrez-Puebla, Enrique; Monge, María Ángeles
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141204082337009
• a: 28.5047 ± 0.0003 Å
• b: 28.5047 ± 0.0003 Å
• c: 10.5027 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8533.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No