Information card for entry 7222397

Structure parameters

• Formula: C102 H78.5 B2 Co Fe2 N6 O2
• Calculated formula: C102.25 H78.5 B2 Co Fe1.9995 N6 O2.25
• Title of publication: Structure and magnetic properties of the AB(HCO2)3(A = Rb+or Cs+, B = Mn2+, Co2+or Ni2+) frameworks: probing the effect of size on the phase evolution of the ternary formates
• Authors of publication: Bovill, Sally M.; Saines, Paul J.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 43
• Pages of publication: 8319
• a: 21.9124 ± 0.0004 Å
• b: 28.8956 ± 0.0005 Å
• c: 26.8085 ± 0.0005 Å
• α: 90°
• β: 108.904 ± 0.0007°
• γ: 90°
• Cell volume: 16058.8 ± 0.5 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 7
• 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: 0.1031
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.1961
• Weighted residual factors for all reflections included in the refinement: 0.2126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No