Information card for entry 7247637

Structure parameters

• Formula: C70 H40 N12 O8 S6 Zn2
• Calculated formula: C70 H40 N12 O8 S6 Zn2
• Title of publication: The physical and electronic properties of Metal–Organic Frameworks containing dipyridylthiazolo[5,4-d]thiazole
• Authors of publication: Rizzuto, Felix J.; Pal, Shyam C.; Kearns, Eleanor R.; Hua, Carol; Solomon, Marcello B.; Doheny, Patrick W.; Faust, Thomas B.; Kepert, Cameron J.; Das, Madhab C.; D'Alessandro, Deanna M.
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 46
• Pages of publication: 6434 - 6440
• a: 14.728 ± 0.007 Å
• b: 15.36 ± 0.05 Å
• c: 15.369 ± 0.008 Å
• α: 93.63 ± 0.07°
• β: 113.88 ± 0.04°
• γ: 91.64 ± 0.05°
• Cell volume: 3167 ± 11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.098
• Residual factor for significantly intense reflections: 0.0913
• Weighted residual factors for significantly intense reflections: 0.2451
• Weighted residual factors for all reflections included in the refinement: 0.2485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No