Information card for entry 7247799

Structure parameters

• Formula: C52 H59 N7 Ni2 O23
• Calculated formula: C52 H37 N7 Ni2 O12
• Title of publication: Effects of solvents and metal ions on the synthesis, structural diversity and magnetic properties of the 5′-nitro-[1,1′:3′,1′′-terphenyl]-3,3′′,5,5′′-tetracarboxylic acid ligand and a highly sensitive sensor for Fe3+
• Authors of publication: Yang, Yuan-Yu; Xue, Jian-Hua; Yang, Dong-Dong; Zhang, Li-Yang; Ma, Qi; Zhao, Xuan
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 2
• Pages of publication: 170 - 179
• a: 19.5933 ± 0.001 Å
• b: 22.7256 ± 0.0012 Å
• c: 52.888 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 23549 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No