Information card for entry 7045937

Structure parameters

• Formula: C56 H48 B2 Fe2 La2 N34 O22
• Calculated formula: C56 H48 B2 Fe2 La2 N34 O22
• 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: 12.0687 ± 0.0009 Å
• b: 13.3292 ± 0.001 Å
• c: 13.3974 ± 0.0008 Å
• α: 89.017 ± 0.006°
• β: 77.566 ± 0.006°
• γ: 89.386 ± 0.006°
• Cell volume: 2104.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0976
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No