Information card for entry 7048276

Structure parameters

• Formula: C39 H32 Cl2 Fe N10 O9
• Calculated formula: C39 H32 Cl2 Fe N10 O9
• 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: 12.8712 ± 0.0008 Å
• b: 23.363 ± 0.003 Å
• c: 12.9312 ± 0.001 Å
• α: 90°
• β: 90.118 ± 0.007°
• γ: 90°
• Cell volume: 3888.5 ± 0.6 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No