Information card for entry 7034003

Structure parameters

• Formula: C18 H18 N4 O4 Zn
• Calculated formula: C18 H18 N4 O4 Zn
• Title of publication: Solvent-controlled three families of Zn(ii) coordination compounds: synthesis, crystal structure, solvent-induced structural transformation, supramolecular isomerism and photoluminescence.
• Authors of publication: Han, Lu-Lu; Hu, Tuo-Ping; Mei, Kai; Guo, Zhi-Min; Yin, Chen; Wang, Ya-Xin; Zheng, Jun; Wang, Xing-Po; Sun, Di
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 13
• Pages of publication: 6052 - 6061
• a: 14.933 ± 0.008 Å
• b: 14.933 Å
• c: 10.539 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2035.3 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 153
• Hermann-Mauguin space group symbol: P 32 1 2
• Hall space group symbol: P 32 2 (0 0 2)
• Residual factor for all reflections: 0.0867
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 0.863
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No