Information card for entry 1560709

Structure parameters

• Formula: C46 H36.5 Cd4 N2.5 O22.5
• Calculated formula: C46 H36.5 Cd4 N2.5 O22.5
• Title of publication: Structural diversity, gas sorption properties, luminescent sensing of three Cd(II) complexes based on 3, 5-Di(2′, 5-dicarboxylphenyl)pyridine
• Authors of publication: Zhao, Li; Zhang, Jie; Wang, Jiang; Niu, Xiao-Yan; Wang, Xiao-Qing; Fan, Li-Ming; Hu, Tuo-Ping
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2018
• Journal volume: 268
• Pages of publication: 1 - 8
• a: 27.459 ± 0.004 Å
• b: 24.215 ± 0.003 Å
• c: 18.917 ± 0.003 Å
• α: 90°
• β: 113.399 ± 0.002°
• γ: 90°
• Cell volume: 11544 ± 3 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No