Information card for entry 1561207

Structure parameters

• Formula: C7 H10 N8 O5
• Calculated formula: C7 H10 N8 O5
• SMILES: n1nn[nH]c1C(CC(=O)O)(c1[nH]nnn1)CC(=O)O.O
• Title of publication: Regulation of deprotonation of 3,3-di(1H-tetrazol-5-yl)pentanedioic acid: Solvothermal synthesis of La(III) and heterometallic La(III)/Cu(II) compounds for ablation of A549 cells
• Authors of publication: Guo, Meng Yue; Zhang, Xin; Zhao, Liang; Li, Yue Kang; Chen, Dian Yu; Yang, Gao Wen; Li, Qiao Yun
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2018
• Journal volume: 259
• Pages of publication: 104 - 109
• a: 7.1446 ± 0.0014 Å
• b: 11.535 ± 0.002 Å
• c: 14.236 ± 0.003 Å
• α: 90°
• β: 93.21 ± 0.03°
• γ: 90°
• Cell volume: 1171.4 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1258
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1692
• Weighted residual factors for all reflections included in the refinement: 0.1933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No