Information card for entry 7056616

Structure parameters

• Formula: C12 H10.4 Fe N8 O1.2 Pd
• Calculated formula: C12 H8 Fe N8 O1.2 Pd
• Title of publication: Guest Induced Hysteretic Tristability in 3D Pillared Hofmann-type Microporous Metal-Organic Framework
• Authors of publication: Polyzou, Christina D.; Lalioti, Nikolia; Psycharis, Vassilis; Tangoulis, Vassilis
• Journal of publication: New J. Chem.
• Year of publication: 2017
• a: 7.28 ± 0.0001 Å
• b: 7.47 ± 0.0001 Å
• c: 7.4387 ± 0.0001 Å
• α: 90°
• β: 95.88 ± 0.001°
• γ: 90°
• Cell volume: 402.4 ± 0.009 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 10
• Hermann-Mauguin space group symbol: P 1 2/m 1
• Hall space group symbol: -P 2y
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No