Information card for entry 4338028

Structure parameters

• Formula: C18 H16 Fe2 N14 O3
• Calculated formula: C18 H16 Fe2 N14 O3
• Title of publication: Guest Molecule Release Triggers Changes in the Catalytic and Magnetic Properties of a Fe(II)-Based 3D Metal-Organic Framework.
• Authors of publication: Xu, Zhouqing; Meng, Wei; Li, Huijun; Hou, Hongwei; Fan, Yaoting
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3260
• a: 22.696 ± 0.005 Å
• b: 12.696 ± 0.003 Å
• c: 16.126 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4646.7 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0716
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No