Information card for entry 4508066

Structure parameters

• Formula: C54 H45 Co7 N0 O36
• Calculated formula: C54 H39 Co7 O36
• 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: 17.2454 ± 0.0008 Å
• b: 17.2454 ± 0.0008 Å
• c: 84.294 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 21711 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No