Information card for entry 4341853

Structure parameters

• Formula: C80 H62 Co3 F24 N2 O16
• Calculated formula: C80 H34 Co3 F24 N2 O16
• 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: 12.3614 ± 0.0008 Å
• b: 25.6247 ± 0.0017 Å
• c: 13.7747 ± 0.0009 Å
• α: 90°
• β: 93.458 ± 0.001°
• γ: 90°
• Cell volume: 4355.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1496
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.1966
• Weighted residual factors for all reflections included in the refinement: 0.2225
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No