Information card for entry 4319161

Structure parameters

• Formula: C28 H48 N4 O16 Zn2
• Calculated formula: C28 H40 N4 O16 Zn2
• SMILES: O.O.O.[Zn]123([N](=Cc4c5c(ccc4)C(=O)O[Zn]4([N](=Cc6c(c(ccc6)C(=O)O3)[O]14)CC[NH+](C)C)([O]25)OC(=O)C)CC[NH+](C)C)OC(=O)C.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: 7.002 ± 0.002 Å
• b: 9.2 ± 0.001 Å
• c: 14.309 ± 0.001 Å
• α: 92.27 ± 0.01°
• β: 98.56 ± 0.01°
• γ: 97.79 ± 0.01°
• Cell volume: 901.4 ± 0.3 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: 0.0531
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for all reflections: 0.0881
• Weighted residual factors for significantly intense reflections: 0.0833
• Goodness-of-fit parameter for all reflections: 0.96
• Goodness-of-fit parameter for significantly intense reflections: 1.078
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No