Information card for entry 1560382

Structure parameters

• Formula: C48 H46 N14 O16 Zn3
• Calculated formula: C48 H46 N14 O16 Zn3
• Title of publication: Structural diversity of four coordination polymers based on 5-nitro-1,2,3-benzenetricarboxylic acid (H3nbta): Solvothermal syntheses, structural characterizations and properties
• Authors of publication: Shi, Chenjie; Wang, Zikai; Chen, Yifan; Zhang, Xiaoyu; Zhao, Yue; Tao, Yuehong; Wu, Hua
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2017
• Journal volume: 253
• Pages of publication: 35 - 42
• a: 10.2521 ± 0.0005 Å
• b: 16.2799 ± 0.0008 Å
• c: 16.2848 ± 0.0009 Å
• α: 75.979 ± 0.004°
• β: 77.781 ± 0.004°
• γ: 75.97 ± 0.004°
• Cell volume: 2524.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.101
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No