Information card for entry 4512846

Structure parameters

• Formula: C16 H12 N2 O4 Pb
• Calculated formula: C16 H8 N2 O4 Pb
• Title of publication: pH-Specific Crystalline Binary and Ternary Metal‒Organic Framework Materials of Pb(II) with (Di)Tricarboxylate Ligands andN,N′-Aromatic Chelators. Structure, Architecture-Lattice Dimensionality, and Electronic Spectroscopic Property Correlations
• Authors of publication: Gabriel, Catherine; Karakosta, Paraskevi; Vangelis, Angelos A.; Raptopoulou, Catherine P.; Terzis, Aris; Psycharis, Vassilis; Bertmer, Marko; Mateescu, Constantin; Salifoglou, Athanasios
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 4
• Pages of publication: 1666
• a: 9.955 ± 0.01 Å
• b: 21.03 ± 0.004 Å
• c: 7.925 ± 0.009 Å
• α: 90°
• β: 119.47 ± 0.02°
• γ: 90°
• Cell volume: 1444 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0304
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No