Information card for entry 7717068

Structure parameters

• Formula: C34 H49 Cu N5 O14 S4 Zn
• Calculated formula: C22 H16 Cu N2 O8 S4 Zn
• Title of publication: Metal-organic frameworks with a sulfur-rich heterocycle: synthesis, gas adsorption properties, and metal exchange.
• Authors of publication: Dubskikh, Vadim A.; Lysova, Anna A.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Dybtsev, Danil N.; Fedin, Vladimir P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 40
• Pages of publication: 16654 - 16660
• a: 12.5936 ± 0.0007 Å
• b: 12.5936 ± 0.0007 Å
• c: 9.6955 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1537.7 ± 0.3 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 7
• Space group number: 123
• Hermann-Mauguin space group symbol: P 4/m m m
• Hall space group symbol: -P 4 2
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No