Information card for entry 7214989

Structure parameters

• Formula: C24 H26 Ca N2 O10 Zn
• Calculated formula: C24 H26 Ca N2 O10 Zn
• 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: 10.311 ± 0.0004 Å
• b: 18.4014 ± 0.0013 Å
• c: 14.3666 ± 0.0009 Å
• α: 90°
• β: 99.825 ± 0.005°
• γ: 90°
• Cell volume: 2685.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0773
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No