Information card for entry 7053078

Structure parameters

• Formula: C21 H18 Co O9
• Calculated formula: C21 H18 Co O9
• SMILES: [Co]12([O]=C3C(O1)=CC(=O)c1ccccc31)([O]=C1C(O2)=CC(=O)c2ccccc12)([OH2])[OH2].OC
• 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: 13.6277 ± 0.0003 Å
• b: 13.6277 ± 0.0003 Å
• c: 21.4357 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3980.91 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.1682
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1693
• Weighted residual factors for all reflections included in the refinement: 0.2138
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No