Information card for entry 4509613

Structure parameters

• Formula: C40 H58 N22 Ni3 O12
• Calculated formula: C40 H58 N22 Ni3 O12
• 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: 13.949 ± 0.002 Å
• b: 10.1892 ± 0.0015 Å
• c: 20.222 ± 0.002 Å
• α: 90°
• β: 116.857 ± 0.008°
• γ: 90°
• Cell volume: 2564.1 ± 0.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No