Information card for entry 7202119

Structure parameters

• Formula: C22 H26 N6 O18 Zn2
• Calculated formula: C22 H26 N6 O18 Zn2
• Title of publication: Three Zn(II)-triazole-H3btc complexes regulated by mixed ligands protonation upon stepwise crystallization
• Authors of publication: Yang, En-Cui; Liu, Zhong-Yi; Wang, Xiu-Guang; Batten, Stuart R.; Zhao, Xiao-Jun
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 9
• Pages of publication: 1140
• a: 7.6066 ± 0.0011 Å
• b: 9.968 ± 0.0013 Å
• c: 11.0456 ± 0.0015 Å
• α: 80.207 ± 0.002°
• β: 72.592 ± 0.002°
• γ: 69.377 ± 0.002°
• Cell volume: 745.97 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0316
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No