Information card for entry 7715087

Structure parameters

• Chemical name: TTF(PhPhCOO)4 Zn2 DMAc
• Formula: C66 H50 N2 O10 S4 Zn2
• Calculated formula: C66 H50 N2 O10 S4 Zn2
• Title of publication: A redox active rod coordination polymer from tetrakis(4-carboxylic acid biphenyl)tetrathiafulvalene.
• Authors of publication: Zigon, Nicolas; Solano, Federica; Auban-Senzier, Pascale; Grolleau, Stéphane; Devic, Thomas; Zolotarev, Pavel N.; Proserpio, Davide M.; Barszcz, Bolesław; Olejniczak, Iwona; Avarvari, Narcis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 4805 - 4813
• a: 5.8818 ± 0.0003 Å
• b: 34.912 ± 0.002 Å
• c: 18.5705 ± 0.0012 Å
• α: 90°
• β: 97.076 ± 0.006°
• γ: 90°
• Cell volume: 3784.3 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.1595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No