Information card for entry 1517290

Structure parameters

• Common name: (Zn(DMF))2(TTFTC)(DPNI)
• Formula: C43 H26 N7 O15 S4 Zn2
• Calculated formula: C43 H26 N7 O15 S4 Zn2
• Title of publication: Controlling charge separation in a novel donor‒acceptor metal‒organic framework via redox modulation
• Authors of publication: Leong, C. F.; Chan, B.; Faust, T. B.; D'Alessandro, D. M.
• Journal of publication: Chem. Sci.
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 12
• Pages of publication: 4724
• a: 8.38 ± 0.0004 Å
• b: 20.9662 ± 0.0009 Å
• c: 13.0999 ± 0.0006 Å
• α: 90°
• β: 95.038 ± 0.003°
• γ: 90°
• Cell volume: 2292.72 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1548
• Residual factor for significantly intense reflections: 0.0937
• Weighted residual factors for significantly intense reflections: 0.238
• Weighted residual factors for all reflections included in the refinement: 0.2816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No