Information card for entry 7223574

Structure parameters

• Formula: C34 H24 N14 O10 Zn3
• Calculated formula: C34 H24 N14 O10 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: 8.4395 ± 0.0001 Å
• b: 10.4158 ± 0.0002 Å
• c: 11.1161 ± 0.0001 Å
• α: 104.454 ± 0.001°
• β: 102.452 ± 0.001°
• γ: 94.865 ± 0.001°
• Cell volume: 913.98 ± 0.02 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: 0.0424
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No