Information card for entry 7053077

Structure parameters

• Formula: C30 H18 Cd N2 O6
• Calculated formula: C30 H18 Cd N2 O6
• SMILES: [n]12c(cccc1)c1[n]([Cd]342([O]=C2C(=CC(=O)c5ccccc25)O3)[O]=C2C(=CC(=O)c3ccccc23)O4)cccc1
• 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: 9.2002 ± 0.0003 Å
• b: 16.3387 ± 0.0005 Å
• c: 16.4478 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2472.42 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P b n n
• Hall space group symbol: -P 2n 2b
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No