Information card for entry 4504674

Structure parameters

• Formula: C26 H21 Co N7 S2
• Calculated formula: C26 H20 Co N7 S2
• 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: 16.604 ± 0.001 Å
• b: 14.532 ± 0.001 Å
• c: 16.097 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3884 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1757
• Residual factor for significantly intense reflections: 0.0898
• Weighted residual factors for significantly intense reflections: 0.2749
• Weighted residual factors for all reflections included in the refinement: 0.3358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No