Information card for entry 1560837

Structure parameters

• Formula: C62 H56 Co3 N8 O16 S6
• Calculated formula: C62 H56 Co3 N8 O16 S6
• Title of publication: 3D Metal-Organic Frameworks Based on Co(II) and Bithiophendicarboxylate: Synthesis, Crystal Structures, Gas Adsorption, and Magnetic Properties.
• Authors of publication: Dubskikh, Vadim A.; Lysova, Anna A.; Samsonenko, Denis G.; Lavrov, Alexander N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.
• Journal of publication: Molecules (Basel, Switzerland)
• Year of publication: 2021
• Journal volume: 26
• Journal issue: 5
• Pages of publication: 1269
• a: 10.852 ± 0.002 Å
• b: 25.406 ± 0.005 Å
• c: 12.801 ± 0.002 Å
• α: 90°
• β: 109.74 ± 0.03°
• γ: 90°
• Cell volume: 3321.9 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0575
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.79313 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No