Information card for entry 7248842

Structure parameters

• Formula: C18 H15 N11 O Zn
• Calculated formula: C18 H15 N11 O Zn
• Title of publication: A luminescent Zn(ii) coordination polymer based on a new tetrazolyl–benzimidazolyl tripodal heterotopic ligand for detecting acetone and triethylamine in water
• Authors of publication: Wu, Jia-Xuan; Mo, Yi-Hong; Lin, Xian; Zhou, Bing-Xun; Cai, Song-Liang; Fan, Jun; Xie, Mu-Biao; Zheng, Sheng-Run
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 27
• Pages of publication: 3736 - 3743
• a: 9.522 ± 0.0002 Å
• b: 19.4852 ± 0.0005 Å
• c: 10.4691 ± 0.0002 Å
• α: 90°
• β: 103.704 ± 0.001°
• γ: 90°
• Cell volume: 1887.12 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0758
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1866
• Weighted residual factors for all reflections included in the refinement: 0.1926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No