Information card for entry 4508067

Structure parameters

• Formula: C76 H86 Co6 N2 O28
• Calculated formula: C74 H76 Co6 N2 O28
• Title of publication: Three New Three-Dimensional Frameworks Based on Hepta-, Hexa-, and Pentanuclear Cobalt Clusters Derived from Substituted Isophthalic Acids: Synthesis, Structures, and Magnetic Properties
• Authors of publication: Tian, Chongbin; Lin, Zujin; Du, Shaowu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 8
• Pages of publication: 3746
• a: 11.0815 ± 0.0014 Å
• b: 12.6742 ± 0.0019 Å
• c: 14.523 ± 0.002 Å
• α: 91.853 ± 0.008°
• β: 92.757 ± 0.006°
• γ: 97.818 ± 0.009°
• Cell volume: 2016.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0559
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No