Information card for entry 4348600

Structure parameters

• Formula: C46 H41 N10 O12 Zn2
• Calculated formula: C46 H41 N10 O12 Zn2
• Title of publication: Isophthalate-Hydrazone 2D Zinc-Organic Framework: Crystal Structure, Selective Adsorption, and Tuning of Mechanochemical Synthetic Conditions.
• Authors of publication: Roztocki, Kornel; Jędrzejowski, Damian; Hodorowicz, Maciej; Senkovska, Irena; Kaskel, Stefan; Matoga, Dariusz
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 19
• Pages of publication: 9663 - 9670
• a: 10.0578 ± 0.0003 Å
• b: 15.0382 ± 0.0005 Å
• c: 15.812 ± 0.0005 Å
• α: 101.385 ± 0.003°
• β: 94.968 ± 0.002°
• γ: 109.331 ± 0.003°
• Cell volume: 2182.3 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.1 ± 0.14 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No