Information card for entry 1560838

Structure parameters

• Formula: C48 H58 Co3 N6 O20 S6
• Calculated formula: C42 H40 Co3 N4 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: 11.96 ± 0.02 Å
• b: 25.867 ± 0.008 Å
• c: 11.461 ± 0.016 Å
• α: 90°
• β: 106.49 ± 0.03°
• γ: 90°
• Cell volume: 3400 ± 7 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: 0.117
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.2142
• Weighted residual factors for all reflections included in the refinement: 0.2365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.79313 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No