Information card for entry 7226078

Structure parameters

• Formula: C3 H11 Li N14 O3
• Calculated formula: C3 H11 Li N14 O3
• Title of publication: Synthesis, Crystal Structure and Properties of a New 1D Polymeric Nitrogen-Rich Energetic Complex {TAG[Li(BTO)(H2O)]}n based on 1H,1'H-5,5'-bitetrazole-1,1'-diolate (BTO)
• Authors of publication: Zhang, Zhibin; Xu, Caixia; Yin, Lei; Wang, Zhen; Yin, Xin; Zhang, Jianguo
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 15.656 ± 0.005 Å
• b: 6.3323 ± 0.0019 Å
• c: 23.814 ± 0.007 Å
• α: 90°
• β: 91.342 ± 0.003°
• γ: 90°
• Cell volume: 2360.2 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0733
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1524
• Weighted residual factors for all reflections included in the refinement: 0.1656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No