Information card for entry 2022263

Structure parameters

• Chemical name: Poly[[[μ~2~-1,4-bis(1<i>H</i>-benzimidazol-1-yl)butane](μ~2~-heptanedioato)cadmium(II)] tetrahydrate]
• Formula: C25 H36 Cd N4 O8
• Calculated formula: C25 H36 Cd N4 O8
• Title of publication: Two new Cd^II^ MOFs of 1,4-bis(1<i>H</i>-benzimidazol-1-yl)butane and flexible dicarboxylate ligands: luminescence sensing towards Fe^3+^
• Authors of publication: Zhao, Fang-Hua; Li, Shi-Yao; Guo, Wen-Yu; Zhao, Zi-Hao; Guo, Xiao-Wen; Li, Yu-Shuo; Fan, Sheng-Qing; Li, Zhong-Lin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 11
• a: 9.0047 ± 0.0008 Å
• b: 16.5608 ± 0.0017 Å
• c: 19.4709 ± 0.0018 Å
• α: 90°
• β: 107.493 ± 0.004°
• γ: 90°
• Cell volume: 2769.3 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes