Information card for entry 4328868

Structure parameters

• Formula: C24 H24 N14 O6 Zn
• Calculated formula: C24 H24 N14 O6 Zn
• Title of publication: Combination of Magnetic Susceptibility and Electron Paramagnetic Resonance to Monitor the 1D to 2D Solid State Transformation in Flexible Metal-Organic Frameworks of Co(II) and Zn(II) with 1,4-Bis(triazol-1-ylmethyl)benzene
• Authors of publication: Eugenio Coronado; Mónica Giménez-Marqués; Guillermo Mínguez Espallargas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4403 - 4410
• a: 8.1968 ± 0.0003 Å
• b: 20.721 ± 0.0009 Å
• c: 8.4639 ± 0.0003 Å
• α: 90°
• β: 105.358 ± 0.004°
• γ: 90°
• Cell volume: 1386.22 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No