Information card for entry 4078523

Structure parameters

• Formula: C40 H40 F12 Fe4 N2 P2
• Calculated formula: C40 H40 F12 Fe4 N2 P2
• Title of publication: Synthesis and Structure of Cubane-Type Tetrairon Clusters Possessing μ3-Isonitrile Ligands. Reductive Coupling of Two Isonitriles on Redox-Responsive Tetrairon Reaction Sites
• Authors of publication: Okazaki, Masaaki; Suto, Kosei; Kudo, Naotsugu; Takano, Masato; Ozawa, Fumiyuki
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 11
• Pages of publication: 4110
• a: 11.6407 ± 0.0002 Å
• b: 14.0195 ± 0.0003 Å
• c: 24.0667 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3927.61 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No