Information card for entry 7223573

Structure parameters

• Formula: C48 H30 N12 O8 Zn3
• Calculated formula: C48 H30 N12 O8 Zn3
• Title of publication: Dicarboxylate ligands‒modulated assembly of new luminescent zinc(II) coordination polymers with in situ formed tetrazole ligand: An experimental and theoretical study
• Authors of publication: Huang, Rong-Yi; Jiang, Hao; Zhu, Chang-Hai; Xu, Heng
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 19.7484 ± 0.0011 Å
• b: 7.6185 ± 0.0004 Å
• c: 30.3815 ± 0.0017 Å
• α: 90°
• β: 105.814 ± 0.005°
• γ: 90°
• Cell volume: 4398 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No