Information card for entry 7025714

Structure parameters

• Formula: C44 H28 N12 O10 Zn2
• Calculated formula: C44 H28 N12 O10 Zn2
• SMILES: c1ccc2c3c4c(cc2)ccc[n]4[Zn]2([n]13)([OH2])Oc1n[nH]c(=O)c3c1cc1c(c(n[nH]c1=O)O[Zn]1([n]4c5c6c(ccc[n]16)ccc5ccc4)([OH2])Oc1n[nH]c(=O)c4cc5c(n[nH]c(=O)c5cc14)O2)c3
• 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: 8.5883 ± 0.0017 Å
• b: 9.79 ± 0.002 Å
• c: 11.659 ± 0.002 Å
• α: 81.66 ± 0.03°
• β: 83.69 ± 0.03°
• γ: 80.09 ± 0.03°
• Cell volume: 951.8 ± 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: 0.1041
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No