Information card for entry 4319162

Structure parameters

• Formula: C14 H13 N3 O7 Zn
• Calculated formula: C14 H13 N3 O7 Zn
• SMILES: [Zn]123([N](=Cc4c(c(ccc4)C(=O)O)O2)Cc2cccc[n]12)([OH2])ON(=[O]3)=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: 8.125 ± 0.001 Å
• b: 8.498 ± 0.001 Å
• c: 12.051 ± 0.001 Å
• α: 96.23 ± 0.01°
• β: 97.22 ± 0.01°
• γ: 106.69 ± 0.01°
• Cell volume: 781.49 ± 0.16 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: 0.0456
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for all reflections: 0.093
• Weighted residual factors for significantly intense reflections: 0.085
• Goodness-of-fit parameter for all reflections: 1.051
• Goodness-of-fit parameter for significantly intense reflections: 1.103
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No