Information card for entry 2021579

Structure parameters

• Common name: [Cd(cptpy)~2~]~n~
• Chemical name: Poly[bis[μ~3~-4-(3,2':6',3''-terpyridin-4'-yl)benzoato]cadmium(II)]
• Formula: C44 H28 Cd N6 O4
• Calculated formula: C44 H28 Cd N6 O4
• Title of publication: A 4'-(4-carboxyphenyl)-3,2':6',3''-terpyridine-based luminescent cadmium(II) coordination polymer for the detection of 2,4,6-trinitrophenol
• Authors of publication: Xu, Bin; Luo, Fuming; Tang, Guodong; Zhang, Jinfang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 5
• a: 5.01 ± 0.0002 Å
• b: 9.593 ± 0.0004 Å
• c: 17.3488 ± 0.0008 Å
• α: 91.192 ± 0.002°
• β: 96.049 ± 0.002°
• γ: 92.858 ± 0.002°
• Cell volume: 827.84 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0232
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes