Information card for entry 4505471

Structure parameters

• Formula: C52 H52 N9 O13 Zn2
• Calculated formula: C52 H52 N9 O13 Zn2
• Title of publication: Effect of Organic Polycarboxylate Ligands on the Structures of a Series of Zinc(II) Coordination Polymers Based on a Conformational Bis-triazole Ligand
• Authors of publication: Mu, Yajuan; Han, Gang; Li, Zhen; Liu, Xiaoting; Hou, Hongwei; Fan, Yaoting
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 3
• Pages of publication: 1193
• a: 21.598 ± 0.004 Å
• b: 19.922 ± 0.004 Å
• c: 24.788 ± 0.005 Å
• α: 90°
• β: 98.6 ± 0.03°
• γ: 90°
• Cell volume: 10546 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0777
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1775
• Weighted residual factors for all reflections included in the refinement: 0.1834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No