Information card for entry 2021843

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[dinitratocopper(II)]-bis(μ-2-{4-[(1<i>H</i>-imidazol-1-yl)methyl]phenyl}-5-(pyridin-4-yl)-1,3,4-oxadiazole)]‒methanol‒water (1/1/0.65)]
• Formula: C36 H35.3 Cd N12 O10.65
• Calculated formula: C36 H35.3 Cd N12 O10.65
• Title of publication: Three Ag^I^, Cu^I^ and Cd^II^ coordination polymers based on the new asymmetrical ligand 2-{4-[(1<i>H</i>-imidazol-1-yl)methyl]phenyl}-5-(pyridin-4-yl)-1,3,4-oxadiazole: syntheses, characterization and emission properties
• Authors of publication: Jin, Guo-Xia; You, Tian-Chao; Ma, Jian-Ping
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 12
• a: 9.4532 ± 0.0003 Å
• b: 14.9309 ± 0.0005 Å
• c: 15.8386 ± 0.0006 Å
• α: 108.975 ± 0.003°
• β: 99.904 ± 0.003°
• γ: 104.901 ± 0.003°
• Cell volume: 1961.42 ± 0.14 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0437
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No