Information card for entry 7700453

Structure parameters

• Formula: C46 H42 Cd3 N4 O16
• Calculated formula: C46 H42 Cd3 N4 O16
• Title of publication: [2 + 2] cycloaddition reaction and luminescent sensing of Fe³⁺ and Cr₂O₇^2- ions by a cadmium-based coordination polymer.
• Authors of publication: Zhu, Rong-Rong; Wang, Tao; Yan, Tong; Jia, Lei; Xue, Zhe; Zhou, Jie; Du, Lin; Zhao, Qi-Hua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 32
• Pages of publication: 12159 - 12167
• a: 10.299 ± 0.005 Å
• b: 10.721 ± 0.006 Å
• c: 11.773 ± 0.006 Å
• α: 97.149 ± 0.006°
• β: 112.393 ± 0.006°
• γ: 90.846 ± 0.006°
• Cell volume: 1189.8 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No