Information card for entry 7225433

Structure parameters

• Formula: C54 H34 Cd3 N2 O12
• Calculated formula: C54 H34 Cd3 N2 O12
• Title of publication: Eight Zn(II) and Cd(II) complexes based on the aromatic C-centered triangular multicarboxylate and N-donor mixed ligands
• Authors of publication: Nie, Ai-Yang; Tong, Yong-Li; Zhou, Hu; Cao, Ling-Ling; Yu, Hui; Shi, Chao; Yuan, Aihua
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 13.3405 ± 0.0013 Å
• b: 9.3835 ± 0.0012 Å
• c: 23.3073 ± 0.0013 Å
• α: 90°
• β: 94.221 ± 0.003°
• γ: 90°
• Cell volume: 2909.7 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 0.887
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No