Information card for entry 7033304

Structure parameters

• Formula: C54 H41 Cd3 N4 O15.5
• Calculated formula: C54 H38 Cd3 N4 O15.5
• Title of publication: 4-(4-carboxyphenoxy)phthalate-based coordination polymers and their application in sensing nitrobenzene.
• Authors of publication: Wang, Yan-Ning; Zhang, Ping; Yu, Jie-Hui; Xu, Ji-Qing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 4
• Pages of publication: 1655 - 1663
• a: 10.22 ± 0.002 Å
• b: 12.408 ± 0.003 Å
• c: 21.148 ± 0.004 Å
• α: 99.29 ± 0.03°
• β: 96.54 ± 0.03°
• γ: 97.36 ± 0.03°
• Cell volume: 2599.9 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0424
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No