Information card for entry 7710413

Structure parameters

• Formula: C26 H16 F2 N4 O4 Zn
• Calculated formula: C26 H16 F2 N4 O4 Zn
• Title of publication: Mixed valency in a neutral 1D Fe-chloranilate coordination polymer.
• Authors of publication: Clutterbuck, Katelyn M.; Abrahams, Brendan F.; Hudson, Timothy A.; van Koeverden, Martin P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 24
• Pages of publication: 9199 - 9205
• a: 16.3388 ± 0.0004 Å
• b: 9.7015 ± 0.0002 Å
• c: 13.8237 ± 0.0003 Å
• α: 90°
• β: 97.072 ± 0.002°
• γ: 90°
• Cell volume: 2174.54 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No