Information card for entry 4319160

Structure parameters

• Formula: C24 H38 N6 O16 Zn2
• Calculated formula: C24 H34 N6 O16 Zn2
• SMILES: N(=O)(=O)[O-].O1[Zn]23([N](=Cc4c5c(ccc4)C(=O)O[Zn]4([N](=Cc6c(c(ccc6)C1=O)[O]24)CC[NH+](C)C)([O]35)[OH2])CC[NH+](C)C)[OH2].O.N(=O)(=O)[O-].O
• Title of publication: Mono- and Dinuclear Zinc Complexes Derived from Unsymmetric Binucleating Ligands: Synthesis, Characterization, and Formation of Tetranuclear Arrays
• Authors of publication: Andrea Erxleben
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 208 - 213
• a: 6.696 ± 0.001 Å
• b: 12.867 ± 0.003 Å
• c: 18.482 ± 0.004 Å
• α: 90°
• β: 92.05 ± 0.03°
• γ: 90°
• Cell volume: 1591.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.055
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for all reflections: 0.1306
• Weighted residual factors for significantly intense reflections: 0.0853
• Goodness-of-fit parameter for all reflections: 0.992
• Goodness-of-fit parameter for significantly intense reflections: 1.102
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No