Information card for entry 4311496

Structure parameters

• Formula: C24 H35 N3 O31 Zn3
• Calculated formula: C24 H6 N3 O31 Zn3
• SMILES: C1(=O)c2cc(cc3[n]2[Zn]2(O1)([O]=C1c4cc(cc5C(=O)O[Zn]([n]45)([O]=C4c5cc(cc6C(=O)O[Zn]([n]56)([O]=C3O2)(O4)([OH2])[OH2])C(=O)O)(O1)([OH2])[OH2])C(=O)O)([OH])[OH2])C(=O)O.O.O.O.O.O.O.O
• Title of publication: Reactivity of Pyridine-2,4,6-tricarboxylic Acid toward Zn(II) Salts under Different Reaction Conditions
• Authors of publication: Sujit K. Ghosh; G. Savitha; Parimal K. Bharadwaj
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 5495 - 5497
• a: 17.1581 ± 0.0002 Å
• b: 17.1581 ± 0.0002 Å
• c: 10.4309 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2659.44 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.1114
• Residual factor for significantly intense reflections: 0.096
• Weighted residual factors for significantly intense reflections: 0.2529
• Weighted residual factors for all reflections included in the refinement: 0.2735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No