Information card for entry 4342356

Structure parameters

• Formula: C6 H22 N28 O2 Zn
• Calculated formula: C6 H22 N28 O2 Zn
• SMILES: [Zn]12([OH2])(n3nnnc3Nc3nnnn13)n1nnnc1Nc1nnnn21.O.N(N)C(=[NH2+])NN.N(N)C(=[NH2+])NN
• Title of publication: Nitrogen-Rich Salts Based on the Energetic [Monoaquabis(N,N-bis(1H-tetrazol-5-yl)amine)-zinc(II)] Anion: A Promising Design in the Development of New Energetic Materials.
• Authors of publication: Li, Fugang; Bi, Yangang; Zhao, Wenyuan; Zhang, Tonglai; Zhou, Zunning; Yang, Li
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 2050 - 2057
• a: 6.9858 ± 0.0017 Å
• b: 11.793 ± 0.003 Å
• c: 13.372 ± 0.003 Å
• α: 91.435 ± 0.003°
• β: 98.948 ± 0.004°
• γ: 95.001 ± 0.005°
• Cell volume: 1083.2 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0509
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No