Information card for entry 1568602

Structure parameters

• Formula: C34.5 H26.5 Mn2 N3.5 O9.5 S4
• Calculated formula: C34.5 H26.5 Mn2 N3.5 O9.5 S4
• 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: 16.206 ± 0.003 Å
• b: 11.501 ± 0.004 Å
• c: 22.561 ± 0.003 Å
• α: 90°
• β: 107.876 ± 0.006°
• γ: 90°
• Cell volume: 4002 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.1533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.79313 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No