Information card for entry 7700454

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: 10.284 ± 0.002 Å
• b: 11.203 ± 0.002 Å
• c: 11.577 ± 0.002 Å
• α: 100.459 ± 0.003°
• β: 114.617 ± 0.003°
• γ: 91.162 ± 0.003°
• Cell volume: 1185.6 ± 0.4 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: 0.1042
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No