Information card for entry 7220135

Structure parameters

• Formula: C19 H13 N7 O6 Zn
• Calculated formula: C19 H13 N7 O6 Zn
• SMILES: [Zn]12([n]3ccncc3c3[n]1c(cc(c3)c1ccccc1)c1[n]2ccnc1)(ON(=O)=O)ON(=O)=O
• Title of publication: Assembling mono-, di- and tri-nuclear coordination complexes with a ditopic analogue of 2,2':6',2''-terpyridine: syntheses, structures and catalytic studies
• Authors of publication: Zhang, Guoqi; yin, zhiwei; Zheng, Shengping; Phoenix, Tonya; Fettinger, James C.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 15.8793 ± 0.0019 Å
• b: 16.956 ± 0.002 Å
• c: 7.1252 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1918.5 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0186
• Residual factor for significantly intense reflections: 0.0182
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.0504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No