Information card for entry 7040758

Structure parameters

• Formula: C4 H4 Cu2 N16 O2
• Calculated formula: C4 H4 Cu2 N16 O2
• 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: 11.32 ± 0.003 Å
• b: 7.635 ± 0.003 Å
• c: 8.702 ± 0.003 Å
• α: 90°
• β: 129.88 ± 0.02°
• γ: 90°
• Cell volume: 577.2 ± 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: 0.0303
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No