Information card for entry 4509612

Structure parameters

• Formula: C15 H18 N8 Ni O4
• Calculated formula: C15 H18 N8 Ni O4
• 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: 8.2778 ± 0.0012 Å
• b: 8.9873 ± 0.0013 Å
• c: 12.5406 ± 0.0018 Å
• α: 101.62 ± 0.002°
• β: 102.546 ± 0.003°
• γ: 91.579 ± 0.003°
• Cell volume: 889.5 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0561
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No