Information card for entry 2020823

Structure parameters

• Chemical name: Poly[[aqua(μ~2~-naphthalene-2,6-dicarboxylato){μ~2~-4,4'-[oxybis(4,1-phenylene)]dipyridine}cadmium(II)] monohydrate]
• Formula: C34 H26 Cd N2 O7
• Calculated formula: C34 H26 Cd N2 O7
• Title of publication: A cadmium(II) coordination polymer with both polyrotaxane and polycatenane features constructed by a V-shaped semi-rigid ligand: synthesis and fluorescence properties
• Authors of publication: Xie, Hua; Fang, Wang-Jian; Yao, Xiao-Qiang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 7
• Pages of publication: 541 - 545
• a: 8.073 ± 0.0002 Å
• b: 12.4019 ± 0.0003 Å
• c: 15.2718 ± 0.0004 Å
• α: 106.744 ± 0.002°
• β: 101.979 ± 0.002°
• γ: 96.647 ± 0.002°
• Cell volume: 1406.93 ± 0.07 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: 0.0296
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes