Information card for entry 4512847

Structure parameters

• Formula: C51 H56 N6 O19 Pb3
• Calculated formula: C51 H56 N6 O19 Pb3
• 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: 10.303 ± 0.0002 Å
• b: 25.2045 ± 0.0004 Å
• c: 10.3907 ± 0.0001 Å
• α: 90°
• β: 92.932 ± 0.001°
• γ: 90°
• Cell volume: 2694.75 ± 0.07 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No