Information card for entry 7034005

Structure parameters

• Formula: C18 H17 N5 O7 Zn
• Calculated formula: C18 H17 N5 O7 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: 17.096 ± 0.004 Å
• b: 13.638 ± 0.004 Å
• c: 10.336 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2409.9 ± 1.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1133
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 0.845
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No