Information card for entry 1568600

Structure parameters

• Formula: C22 H16 Mn N2 O4 S2
• Calculated formula: C22 H16 Mn N2 O4 S2
• Title of publication: A Series of Metal–Organic Frameworks with 2,2′-Bipyridyl Derivatives: Synthesis vs. Structure Relationships, Adsorption, and Magnetic Studies
• Authors of publication: Dubskikh, Vadim A.; Kolosov, Aleksei A.; Lysova, Anna A.; Samsonenko, Denis G.; Lavrov, Alexander N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.
• Journal of publication: Molecules
• Year of publication: 2023
• Journal volume: 28
• Journal issue: 5
• Pages of publication: 2139
• a: 10.5007 ± 0.0005 Å
• b: 10.5738 ± 0.0006 Å
• c: 11.029 ± 0.0005 Å
• α: 102.277 ± 0.004°
• β: 91.709 ± 0.004°
• γ: 117.108 ± 0.005°
• Cell volume: 1053.76 ± 0.11 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.0506
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No