Information card for entry 4333724

Structure parameters

• Formula: C76 H54 Fe4 N32 O11 Sm2
• Calculated formula: C76 H44 Fe4 N32 O10.93 Sm2
• Title of publication: Low-Dimensional 3d-4f Complexes Assembled by Low-Spin [FeIII(phen)(CN)4]- Anions
• Authors of publication: Diana Visinescu; Luminita Marilena Toma; Oscar Fabelo; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 1525 - 1537
• a: 7.636 ± 0.0002 Å
• b: 15.849 ± 0.0003 Å
• c: 34.982 ± 0.0009 Å
• α: 90°
• β: 94.991 ± 0.001°
• γ: 90°
• Cell volume: 4217.57 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1154
• Residual factor for significantly intense reflections: 0.0993
• Weighted residual factors for significantly intense reflections: 0.2698
• Weighted residual factors for all reflections included in the refinement: 0.2853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.426
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No