Information card for entry 7045935

Structure parameters

• Formula: C40 H43.5 B2 Fe2 N28 O16.75 Tb2
• Calculated formula: C40 H43.52 B2 Fe2 N28 O16.75 Tb2
• Title of publication: Design of 3d-4f molecular squares through the [Fe{(HB(pz)₃)}(CN)₃]^- metalloligand.
• Authors of publication: Alexandru, Maria-Gabriela; Visinescu, Diana; Shova, Sergiu; Oliveira, Willian X. C.; Lloret, Francesc; Julve, Miguel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 17
• Pages of publication: 6005 - 6017
• a: 10.9953 ± 0.0014 Å
• b: 13.5584 ± 0.0012 Å
• c: 13.8383 ± 0.0016 Å
• α: 61.283 ± 0.01°
• β: 77.182 ± 0.01°
• γ: 66.269 ± 0.01°
• Cell volume: 1655.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No