Information card for entry 7222969

Structure parameters

• Formula: C8 H6 N8 O2 Zn2
• Calculated formula: C8 H6 N8 O2 Zn2
• Title of publication: Structure modulation in zinc-ditetrazolate coordination polymers by in situ ligand synthesis
• Authors of publication: Li, Yunwu; Ma, huiyan; Wang, Suna; Xu, Jian; Li, Da-Cheng; Dou, Jianmin; Bu, Xian-He
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 8.1044 ± 0.0016 Å
• b: 16.023 ± 0.003 Å
• c: 10.137 ± 0.004 Å
• α: 90°
• β: 117.31 ± 0.02°
• γ: 90°
• Cell volume: 1169.6 ± 0.6 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: 0.0744
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No