Information card for entry 1565902

Structure parameters

• Formula: C18 H9 N2 O4 Zn
• Calculated formula: C18 H9 N2 O4 Zn
• Title of publication: Friedländer, Knoevenagel, and Michael Reactions Employing the Same MOF: Synthesis, Structure, and Heterogeneous Catalytic Studies of ([Zn(1,4-NDCA)(3-BPDB)0.5]·(DMF)(MeOH) and [Cd4(1,4-NDCA)4(3-BPDB)4]·2(DMF)
• Authors of publication: Sarkar, Anupam; Mistry, Subhradeep; Natarajan, Srinivasan
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2021
• Journal volume: 125
• Journal issue: 49
• Pages of publication: 27230 - 27240
• a: 10.2597 ± 0.0004 Å
• b: 10.8766 ± 0.0004 Å
• c: 10.9289 ± 0.0005 Å
• α: 93.653 ± 0.003°
• β: 109.577 ± 0.004°
• γ: 97.147 ± 0.003°
• Cell volume: 1132.87 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.064
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1902
• Weighted residual factors for all reflections included in the refinement: 0.1924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No