Information card for entry 7056045

Structure parameters

• Formula: C27 H28 N4 O10 Zn2
• Calculated formula: C27 H28 N4 O10 Zn2
• Title of publication: Synthesis, structures and photoluminescence properties of mixed ligand divalent metal‒organic frameworks
• Authors of publication: Altaf, Muhammad; Mansha, Muhammad; Sohail, Manzar; Isab, Anvarhusein A.; Ullah, Nisar; Khan, Safyan A.; Sher, Muhammad; Stoeckli-Evans, Helen
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 8
• Pages of publication: 2980
• a: 13.894 ± 0.0004 Å
• b: 13.894 ± 0.0004 Å
• c: 28.8987 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5578.7 ± 0.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 110
• Hermann-Mauguin space group symbol: I 41 c d
• Hall space group symbol: I 4bw -2c
• Residual factor for all reflections: 0.0234
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.0496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No