Information card for entry 7208167

Structure parameters

• Formula: C51 H25 Co2 F18 O12
• Calculated formula: C51 H25 Co2 F18 O12
• Title of publication: Tuning the magnetic properties of transition metal MOFs by metal‒oxygen condensation control: the relation between synthesis temperature, SBU nuclearity and carboxylate geometry
• Authors of publication: Bernini, Maria C.; Platero-Prats, Ana E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Labrador, Ana; Sáez-Puche, Regino; Romero de Paz, Julio; Monge, M. Angeles
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 17
• Pages of publication: 5493
• a: 19.0301 ± 0.0014 Å
• b: 7.2336 ± 0.0005 Å
• c: 20.5002 ± 0.0015 Å
• α: 90°
• β: 106.629 ± 0.001°
• γ: 90°
• Cell volume: 2704 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No