Information card for entry 7048275

Structure parameters

• Formula: C36 H26 Cl2 N10 O8 Zn
• Calculated formula: C36 H26 Cl2 N10 O8 Zn
• Title of publication: Slow spin crossover in bis-meridional Fe²⁺ complexes through spin-state auto-adaptive N6/N8 coordination.
• Authors of publication: Petzold, Holm; Hörner, Gerald; Schnaubelt, Linda; Rüffer, Tobias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 48
• Pages of publication: 17257 - 17265
• a: 23.1125 ± 0.0006 Å
• b: 12.5935 ± 0.0003 Å
• c: 13.1876 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3838.48 ± 0.16 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1022
• Residual factor for significantly intense reflections: 0.0941
• Weighted residual factors for significantly intense reflections: 0.2638
• Weighted residual factors for all reflections included in the refinement: 0.2744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No