Information card for entry 4503046

Structure parameters

• Formula: C9 H14 Cu2 N12 O9
• Calculated formula: C9 H14 Cu2 N12 O9
• Title of publication: pH-Dependent Cu(II) Coordination Polymers with Tetrazole-1-acetic Acid: Synthesis, Crystal Structures, EPR and Magnetic Properties
• Authors of publication: Yu, Qing; Zhang, Xiuqing; Bian, Hedong; Liang, Hong; Zhao, Bin; Yan, Shiping; Liao, Daizheng
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 1140
• a: 8.6369 ± 0.0009 Å
• b: 19.3517 ± 0.0019 Å
• c: 12.0519 ± 0.0013 Å
• α: 90°
• β: 108.295 ± 0.001°
• γ: 90°
• Cell volume: 1912.5 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No