Information card for entry 7048741

Structure parameters

• Formula: C27 H8 Cl7 Cu F12 N2 O4
• Calculated formula: C27 H8 Cl7 Cu F12 N2 O4
• Title of publication: One-dimensional magnetic chain composed of Cu^II and polychlorinated dipyridylphenylmethyl radical: temperature-dependent Jahn-Teller distortion correlated to π-conjugation and magnetic properties.
• Authors of publication: Kimura, Shun; Uchida, Hikaru; Kusamoto, Tetsuro; Nishihara, Hiroshi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 21
• Pages of publication: 7090 - 7093
• a: 15.3536 ± 0.0019 Å
• b: 11.069 ± 0.0011 Å
• c: 20.979 ± 0.003 Å
• α: 90°
• β: 102.497 ± 0.006°
• γ: 90°
• Cell volume: 3480.9 ± 0.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No