Information card for entry 4504673

Structure parameters

• Formula: C54 H50 Co2 N18 O2 S4
• Calculated formula: C55 H51 Co2 N17 O2 S4
• Title of publication: Rational Synthesis and Characterization of Robust Microporous Metal−Organic Frameworks with Base Functionality
• Authors of publication: Shin, Dong Mok; Lee, In Su; Chung, Young Keun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 5
• Pages of publication: 1059
• a: 13.7195 ± 0.0008 Å
• b: 13.6998 ± 0.0008 Å
• c: 18.1247 ± 0.0011 Å
• α: 77.634 ± 0.003°
• β: 77.225 ± 0.003°
• γ: 63.562 ± 0.003°
• Cell volume: 2948.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1513
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1441
• Weighted residual factors for all reflections included in the refinement: 0.1781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No