Information card for entry 4513672

Structure parameters

• Formula: C48 H32 Co3 N2 O17
• Calculated formula: C48 H32 Co3 N2 O17
• Title of publication: Three-Dimensional Supramolecular Architectures with CoIIIons Assembled from Hydrogen Bonding and π···π Stacking Interactions: Crystal Structures and Antiferromagnetic Properties
• Authors of publication: Si, Chang-Dai; Hu, Dong-Cheng; Fan, Yan; Dong, Xiu-Yan; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 12
• Pages of publication: 5781
• a: 10.9329 ± 0.0006 Å
• b: 28.934 ± 0.0013 Å
• c: 15.0328 ± 0.0007 Å
• α: 90°
• β: 90.37 ± 0.005°
• γ: 90°
• Cell volume: 4755.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.057
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No