Information card for entry 7220964

Structure parameters

• Formula: C20 H22 N6 O8 Zn2
• Calculated formula: C20 H22 N6 O8 Zn2
• Title of publication: A self-catenated rob-type porous coordination polymer constructed from triazolate and carboxylate ligands: fluorescence response to the reversible phase transformation
• Authors of publication: Deng, Mingli; Tai, Shijun; Zhang, Weiquan; Wang, Yongchen; Zhu, Jiaxing; Zhang, Jinsheng; Ling, Yun; Zhou, Yaming
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 31
• Pages of publication: 6023
• a: 38.028 ± 0.01 Å
• b: 9.647 ± 0.003 Å
• c: 9.871 ± 0.003 Å
• α: 90°
• β: 97.49 ± 0.005°
• γ: 90°
• Cell volume: 3590.3 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1091
• Residual factor for significantly intense reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.2533
• Weighted residual factors for all reflections included in the refinement: 0.2759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No