Information card for entry 3000592

Structure parameters

• Formula: C28 H28 Cu F6 N4 O6 S2
• Calculated formula: C28 H28 Cu F6 N4 O6 S2
• Title of publication: Structural Characterization of a Desolvated Flexible Porous Coordination Polymer using MicroED
• Authors of publication: Shin-ichiro Noro
• Journal of publication: Crystal Growth & Design
• Year of publication: 2026
• Journal volume: 26
• Pages of publication: 438
• a: 8.81 ± 0.003 Å
• b: 17.268 ± 0.004 Å
• c: 10.929 ± 0.004 Å
• α: 90°
• β: 96.22 ± 0.03°
• γ: 90°
• Cell volume: 1652.9 ± 0.9 ų
• Cell temperature: 79 K
• Ambient diffraction temperature: 79 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1441
• Residual factor for significantly intense reflections: 0.0875
• Weighted residual factors for significantly intense reflections: 0.2002
• Weighted residual factors for all reflections included in the refinement: 0.2169
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation probe: electron
• Diffraction radiation wavelength: 0.02508 Å
• Diffraction radiation type: electron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No