Information card for entry 4348363

Structure parameters

• Formula: C12 H13 N5 O5 Zn2
• Calculated formula: C12 H13 N5 O5 Zn2
• Title of publication: Syntheses, structures and gas sorption properties of two coordination polymers with a unique type of supramolecular isomerism
• Authors of publication: Qi, Xiao-Lin; Ye, Jia-Wen; Lin, Rui-Biao; Liao, Pei-Qin; Liu, Si-Yang; He, Chun-Ting; Zhang, Jie-Peng; Chen, Xiao-Ming
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 2
• Pages of publication: 136
• a: 21.692 ± 0.003 Å
• b: 7.4594 ± 0.0009 Å
• c: 9.8769 ± 0.0012 Å
• α: 90°
• β: 91.687 ± 0.002°
• γ: 90°
• Cell volume: 1597.5 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No