Information card for entry 7231122

Structure parameters

• Formula: C44 H35 Cd2 N6 O12
• Calculated formula: C44 H35 Cd2 N6 O12
• Title of publication: Structural diversity, magnetic properties, and luminescence sensing of five 3D coordination polymers derived from designed 3,5-di(2′,4′-dicarboxylphenyl)benozoic acid
• Authors of publication: Fan, Liming; Zhang, Yujuan; Liang, Jinfang; Wang, Xiaoqing; Lv, Hongxiao; Wang, Jiang; Zhao, Li; Zhang, Xiutang
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 33
• Pages of publication: 4752
• a: 13.2168 ± 0.0005 Å
• b: 13.4274 ± 0.0005 Å
• c: 13.7151 ± 0.0005 Å
• α: 74.321 ± 0.001°
• β: 70.086 ± 0.001°
• γ: 61.743 ± 0.001°
• Cell volume: 1998.2 ± 0.13 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: 0.0398
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No