Information card for entry 7124417

Structure parameters

• Formula: C28 H28 Cl Fe N2 O6
• Calculated formula: C28 H28 Cl Fe N2 O6
• Title of publication: Slow Magnetic Relaxation in a High-spin Pentacoordinate Fe(III) Complex
• Authors of publication: Rajnák, Cyril; Titis, Jan; Moncol, Jan; Renz, Franz; Boca, Roman
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 16.0599 ± 0.0007 Å
• b: 10.4661 ± 0.0003 Å
• c: 16.9384 ± 0.0008 Å
• α: 90°
• β: 109.324 ± 0.003°
• γ: 90°
• Cell volume: 2686.7 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No