Information card for entry 7214991

Structure parameters

• Formula: C30 H16 Ba N2 O16 Zn2
• Calculated formula: C30 H16 Ba N2 O16 Zn2
• Title of publication: Alkaline earth metal ion doped Zn(ii)-terephthalates
• Authors of publication: Zhang, Xin; Huang, Yuan-Yuan; Cheng, Jian-Kai; Yao, Yuan-Gen; Zhang, Jian; Wang, Fei
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 14
• Pages of publication: 4843
• a: 15.1637 ± 0.0006 Å
• b: 19.0644 ± 0.0006 Å
• c: 12.6634 ± 0.0005 Å
• α: 90°
• β: 112.767 ± 0.005°
• γ: 90°
• Cell volume: 3375.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0323
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No