Information card for entry 7054465

Structure parameters

• Formula: C31.5 H28.5 N7.5 O11.5 Zn
• Calculated formula: C31.5 H28.5 N7.5 O11.5 Zn
• Title of publication: Synthesis, structure, spectroscopy of four novel supramolecular complexes and cytotoxicity study by application of multiple parallel perfused microbioreactors
• Authors of publication: Guan, Qing-Lin; Liu, Zhi; Wei, Wen-Juan; Xing, Yong-Heng; Liu, Jing; Zhang, Rui; Hou, Ya-Nan; Wang, Xuan; Bai, Feng-Ying
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 7
• Pages of publication: 3258
• a: 9.537 ± 0.004 Å
• b: 12.679 ± 0.003 Å
• c: 15.191 ± 0.001 Å
• α: 108.093 ± 0.001°
• β: 104.845 ± 0.001°
• γ: 91.562 ± 0.001°
• Cell volume: 1676.3 ± 0.8 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: 0.0563
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No