Information card for entry 4349998

Structure parameters

• Formula: C21 H11 N2 O11 Zn
• Calculated formula: C21 H11 N2 O11 Zn
• Title of publication: Construction of bifunctional 2-fold interpenetrated Zn(ii) MOFs exhibiting selective CO2 adsorption and aqueous-phase sensing of 2,4,6-trinitrophenol
• Authors of publication: Dhankhar, Sandeep Singh; Sharma, Nayuesh; Nagaraja, C. M.
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 4
• Pages of publication: 1058
• a: 4.821 ± 0.005 Å
• b: 17.325 ± 0.005 Å
• c: 27.459 ± 0.005 Å
• α: 90 ± 0.005°
• β: 91.618 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2293 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No