Information card for entry 7046579

Structure parameters

• Formula: C78 H84 Fe3 N42 S6
• Calculated formula: C78 H84 Fe3 N42 S6
• 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: 23.8508 ± 0.0006 Å
• b: 16.0961 ± 0.0003 Å
• c: 23.6646 ± 0.0004 Å
• α: 90°
• β: 90.482 ± 0.002°
• γ: 90°
• Cell volume: 9084.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0688
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.1678
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No