Information card for entry 7046581

Structure parameters

• Formula: C77 H85 Fe3 N41 O S5
• Calculated formula: C77 H85 Fe3 N41 O S5
• Title of publication: Stable Fe(ii)-based coordination polymers: synthesis, structural diversity and catalytic applications in homo-coupling reactions.
• Authors of publication: Wu, Qiong; Han, Yanbing; Shao, Zhichao; Li, Junxia; Hou, Hongwei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 24
• Pages of publication: 8063 - 8069
• a: 23.848 ± 0.013 Å
• b: 17.081 ± 0.003 Å
• c: 16.644 ± 0.003 Å
• α: 90°
• β: 134.258 ± 0.016°
• γ: 90°
• Cell volume: 4856 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 0.888
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No