Information card for entry 7205452

Structure parameters

• Formula: C20 H13 Cl N4 O3 Zn
• Calculated formula: C20 H13 Cl N4 O3 Zn
• Title of publication: A chirally helical coordination polymer self-assembled with the ligand 2-(2-carboxyphenyl)imidazo(4,5-f)(1,10)phenanthroline: crystal structure, SHG response and tunable photoluminescence
• Authors of publication: Wei, Yongqin; Wu, Kechen; He, Jiangang; Zheng, Wengxu; Xiao, Xueying
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 52
• a: 9.291 ± 0.005 Å
• b: 7.006 ± 0.003 Å
• c: 13.182 ± 0.006 Å
• α: 90°
• β: 91.935 ± 0.007°
• γ: 90°
• Cell volume: 857.6 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No