Information card for entry 7046456

Structure parameters

• Formula: C98 H94 Cl4 Fe4 N6 O18
• Calculated formula: C98 H94 Cl4 Fe4 N6 O18
• Title of publication: Chiroptical and magnetic properties of star-shaped Fe complexes from chiral Schiff bases. Structural and magnetic correlations based on continuous shape measures.
• Authors of publication: Mayans, Julia; Font-Bardia, Mercè; Escuer, Albert
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 25
• Pages of publication: 8392 - 8401
• a: 12.1916 ± 0.0005 Å
• b: 27.8951 ± 0.0012 Å
• c: 14.2943 ± 0.0006 Å
• α: 90°
• β: 111.665 ± 0.002°
• γ: 90°
• Cell volume: 4517.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No