Information card for entry 7207544

Structure parameters

• Formula: C51 H52 N22 O17 Zn2
• Calculated formula: C51 H42 N22 O17 Zn2
• Title of publication: Synthesis, structure, fluorescent and magnetic properties of a series of coordination polymers based on a long and flexible bis-triazole ligand
• Authors of publication: Wang, Nan; Feng, Yue-Chao; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 2769
• a: 19.756 ± 0.003 Å
• b: 16.208 ± 0.002 Å
• c: 19.19 ± 0.003 Å
• α: 90°
• β: 98.206 ± 0.004°
• γ: 90°
• Cell volume: 6081.8 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1318
• Residual factor for significantly intense reflections: 0.0975
• Weighted residual factors for significantly intense reflections: 0.2572
• Weighted residual factors for all reflections included in the refinement: 0.2825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No