Information card for entry 7033040

Structure parameters

• Formula: C41 H28 N4 O4 Zn
• Calculated formula: C41 H28 N4 O4 Zn
• Title of publication: A series of MOFs based on a triangular tri(4-pyridylphenyl)amine ligand combined with carboxylate or nitrate auxiliary ligands.
• Authors of publication: Meng, Fandian; Zhang, Mingdao; Shen, Kang; Li, Yizhi; Zheng, Hegen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 3
• Pages of publication: 1412 - 1419
• a: 20.332 ± 0.002 Å
• b: 10.0941 ± 0.0011 Å
• c: 32.682 ± 0.004 Å
• α: 90°
• β: 96.688 ± 0.002°
• γ: 90°
• Cell volume: 6661.8 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0855
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1812
• Weighted residual factors for all reflections included in the refinement: 0.1966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No