Information card for entry 4506569

Structure parameters

• Formula: C36 H26 Fe N10 O
• Calculated formula: C36 H26 Fe N10 O
• Title of publication: Unusual High Thermal Stablility of a 2D →3D Polycatenated Fe(II) Metal‒Organic Framework Showing Guest-Dependent Spin-Crossover Behavior and High Spin-Transition Temperature
• Authors of publication: Zhang, Xiu-Tang; Sun, Di; Li, Bao; Fan, Li-Ming; Li, Bin; Wei, Pei-Hai
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 3845
• a: 19.533 ± 0.002 Å
• b: 8.3503 ± 0.0009 Å
• c: 19.621 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3200.3 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1468
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No