Information card for entry 7040759

Structure parameters

• Formula: C2 H4 N8 O2 Zn
• Calculated formula: C2 H4 N8 O2 Zn
• Title of publication: Synthesis, structure and characterization of neutral coordination polymers of 5,5'-bistetrazole with copper(ii), zinc(ii) and cadmium(ii): a new route to reconcile oxygen balance and nitrogen content of high-energy MOFs.
• Authors of publication: Chen, Sitong; Zhang, Bo; Yang, Li; Wang, Lin; Zhang, Tonglai
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 42
• Pages of publication: 16779 - 16783
• a: 10.821 ± 0.002 Å
• b: 10.476 ± 0.002 Å
• c: 7.7269 ± 0.0015 Å
• α: 90°
• β: 128.07 ± 0.03°
• γ: 90°
• Cell volume: 689.6 ± 0.4 ų
• Cell temperature: 153.15 K
• Ambient diffraction temperature: 153.15 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: 0.03
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.399
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No