Information card for entry 4516389

Structure parameters

• Formula: C20 H22 N2 O11 Pb
• Calculated formula: C20 H22 N2 O11 Pb
• Title of publication: Structural‒Spectrochemical Correlations of Variable Dimensionality Crystalline Metal‒Organic Framework Materials in Hydrothermal Reactivity Patterns of Binary‒Ternary Systems of Pb(II) with (a)Cyclic (Poly)carboxylate and Aromatic Chelator Ligands
• Authors of publication: Gabriel, Catherine; Vangelis, Angelos A.; Raptopoulou, Catherine P.; Terzis, Aris; Psycharis, Vassilis; Zervou, Maria; Bertmer, Marko; Salifoglou, Athanasios
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 5310
• a: 12.8713 ± 0.0003 Å
• b: 13.7355 ± 0.0004 Å
• c: 12.872 ± 0.0004 Å
• α: 90 ± 0.001°
• β: 105.091 ± 0.001°
• γ: 90 ± 0.001°
• Cell volume: 2197.21 ± 0.11 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0299
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections included in the refinement: 0.0452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No