Information card for entry 7715521

Structure parameters

• Formula: C78 H48 Cu4 Fe6 N12 O18 S2
• Calculated formula: C78 H48 Cu4 Fe6 N12 O18 S2
• Title of publication: Inorganic-organic hybrid Cu-dipyridyl semiconducting polymers based on the redox-active cluster [SFe₃(CO)₉]^2-: filling the gap in iron carbonyl chalcogenide polymers.
• Authors of publication: Hsu, Ming-Chi; Lin, Ru Yan; Sun, Tzu-Yen; Huang, Yu-Xin; Li, Min-Sian; Li, Yu-Huei; Chen, Hui-Lung; Shieh, Minghuey
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 17
• Pages of publication: 7303 - 7314
• a: 19.8904 ± 0.0003 Å
• b: 17.0117 ± 0.0003 Å
• c: 23.7088 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8022.3 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No