Information card for entry 7030852

Structure parameters

• Formula: C8 H14 N6 O7
• Calculated formula: C8 H14 N6 O7
• SMILES: N(=Nc1[nH]nnn1)c1cc(c(cc1)O)C(=O)O.O.O.O.O
• Title of publication: Syntheses, structures and properties of 5-azotetrazolyl salicylic acid and its dilanthanide complexes.
• Authors of publication: Chen, Wen-Bin; Li, Zhi-Xin; Yu, Xin-Wei; Yang, Meng; Qiu, Yan-Xuan; Dong, Wen; Sun, Ya-Qiu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 24
• Pages of publication: 9090 - 9097
• a: 27.104 ± 0.01 Å
• b: 3.8044 ± 0.0013 Å
• c: 27.047 ± 0.009 Å
• α: 90°
• β: 101.58 ± 0.02°
• γ: 90°
• Cell volume: 2732.2 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.1192
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.2087
• Weighted residual factors for all reflections included in the refinement: 0.2402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No