Information card for entry 4330160

Structure parameters

• Formula: C18 H25 N3 O9 Pb
• Calculated formula: C18 H17 N3 O9 Pb
• SMILES: [Pb]1234([n]5cccc6ccc7ccc[n]1c7c56)[N](CC(=O)O3)(CC(=O)O2)CC[OH]4.O.O.O.O
• Title of publication: pH-Specific Hydrothermal Assembly of Binary and Ternary Pb(II)-(O,N-Carboxylic Acid) Metal Organic Framework Compounds: Correlation of Aqueous Solution Speciation with Variable Dimensionality Solid-State Lattice Architecture and Spectroscopic Signatures
• Authors of publication: C. Gabriel; M. Perikli; C. P. Raptopoulou; A. Terzis; V. Psycharis; C. Mateescu; T. Jakusch; T. Kiss; M. Bertmer; A. Salifoglou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 9282 - 9296
• a: 7.108 ± 0.006 Å
• b: 9.965 ± 0.007 Å
• c: 15.57 ± 0.01 Å
• α: 98.16 ± 0.03°
• β: 94.54 ± 0.03°
• γ: 95 ± 0.03°
• Cell volume: 1082.8 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No