Information card for entry 1565901

Structure parameters

• Formula: C51 H40 Cd2 N9 O9
• Calculated formula: C51 H40 Cd2 N9 O9
• 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: 14.0129 ± 0.0005 Å
• b: 21.0765 ± 0.0008 Å
• c: 15.0463 ± 0.0006 Å
• α: 90°
• β: 93.872 ± 0.002°
• γ: 90°
• Cell volume: 4433.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0612
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No