Information card for entry 7053080

Structure parameters

• Formula: C30 H18 N2 O6 Zn
• Calculated formula: C30 H18 N2 O6 Zn
• SMILES: C12C(c3ccccc3C(=O)C=1)=[O][Zn]13(O2)([n]2c(c4[n]1cccc4)cccc2)[O]=C1C(=CC(=O)c2ccccc12)O3
• Title of publication: Electrochemical synthesis and structural characterization of homoleptic and heteroleptic cobalt, nickel, copper, zinc and cadmium compounds with the 2-hydroxy-1,4-naphthoquinone ligand
• Authors of publication: Casanova, Isabel; Sousa-Pedrares, Antonio; Viqueira, Joaquin; Durán, María L.; Romero, Jaime; Sousa, Antonio; García-Vázquez, José A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 8
• Pages of publication: 2303
• a: 19.6716 ± 0.0011 Å
• b: 14.8036 ± 0.0008 Å
• c: 8.3806 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2440.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No