Information card for entry 7229375

Structure parameters

• Formula: C7 H6 Cu N6 O7
• Calculated formula: C7 H2 Cu N6 O7
• Title of publication: New complexes constructed from in situ nitration of (1H-tetrazol-5-yl)phenol: synthesis, structures and properties
• Authors of publication: Du, Ceng-Ceng; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi; Jia, Dianzeng
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 11.66 ± 0.02 Å
• b: 11.62 ± 0.01 Å
• c: 18.53 ± 0.03 Å
• α: 90°
• β: 102.62 ± 0.04°
• γ: 90°
• Cell volume: 2450 ± 6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/c 1
• Hall space group symbol: -I 2yc
• Residual factor for all reflections: 0.1617
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.3194
• Weighted residual factors for all reflections included in the refinement: 0.35
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No