Information card for entry 7213750

Structure parameters

• Formula: C15 H7 N4 O8 Zn2
• Calculated formula: C15 H7 N4 O8 Zn2
• Title of publication: Syntheses, structures and luminescence properties of three metal‒organic frameworks based on 5-(4-(2H-tetrazol-5-yl)phenoxy)isophthalic acid
• Authors of publication: He, Hongming; Sun, Fuxing; Su, Hongmin; Jia, Jiangtao; Li, Qin; Zhu, Guangshan
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 3
• Pages of publication: 339
• a: 8.4724 ± 0.0015 Å
• b: 9.3461 ± 0.0017 Å
• c: 11.4906 ± 0.0019 Å
• α: 82.012 ± 0.002°
• β: 76.92 ± 0.002°
• γ: 69.835 ± 0.002°
• Cell volume: 830.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0399
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No