Information card for entry 7025715

Structure parameters

• Formula: C40 H24 N12 O8 Zn2
• Calculated formula: C40 H24 N12 O8 Zn2
• SMILES: [n]12[Zn]34([n]5c(c2cccc1)cccc5)[O]=C1N3NC(=O)c2cc3c(c(=O)[nH]nc3O[Zn]35([n]6ccccc6c6cccc[n]36)N3NC(=O)c6cc7c(c(=O)[nH]nc7O4)cc6C3=[O]5)cc12
• Title of publication: Fluorescent metal-organic polymers of zinc and cadmium from hydrothermal in situ acylation reaction.
• Authors of publication: Yu, Xiao-Yang; Ye, Ling; Zhang, Xiao; Cui, Xiao-Bing; Zhang, Jian-Po; Xu, Ji-Qing; Hou, Qin; Wang, Tie-Gang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 44
• Pages of publication: 10617 - 10625
• a: 6.9067 ± 0.0014 Å
• b: 9.7485 ± 0.0019 Å
• c: 12.966 ± 0.003 Å
• α: 80.71 ± 0.03°
• β: 76.27 ± 0.03°
• γ: 80.67 ± 0.03°
• Cell volume: 829.9 ± 0.3 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: 0.0732
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No