Information card for entry 4509614

Structure parameters

• Formula: C15 H20 N8 Ni O5
• Calculated formula: C15 H20 N8 Ni O5
• Title of publication: Coordination Polymers Assembled from 3,5-Pyrazoledicarboxylic Acid and Bis(triazolyl) Ligands: Chiral andMeso-Structures Induced by Ligand Flexibility and a Six-Connected Self-Catenated Network
• Authors of publication: Zhou, Xin-Hui; Du, Xiao-Di; Li, Gao-Nan; Zuo, Jing-Lin; You, Xiao-Zeng
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 10
• Pages of publication: 4487
• a: 9.4569 ± 0.0018 Å
• b: 11.444 ± 0.002 Å
• c: 17.664 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1911.7 ± 0.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No