Information card for entry 4089264

Structure parameters

• Formula: C86 H60 Fe8 O24 P4 Pd2 S12
• Calculated formula: C86 H60 Fe8 O24 P4 Pd2 S12
• Title of publication: Synthetic and Structural Studies on Linear and Macrocyclic Pd- and Pt-Bridged Butterfly Fe/S Cluster Complexes
• Authors of publication: Song, Li-Cheng; Zhang, Long-Duo; Liu, Bei-Bei; Ding, Shu-Da; Chen, Hao; Xu, Xiu-Fang; Fan, Gui-Lan
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 7
• Pages of publication: 1419
• a: 15.3709 ± 0.0003 Å
• b: 34.0985 ± 0.0007 Å
• c: 25.7071 ± 0.0005 Å
• α: 90°
• β: 100.151 ± 0.002°
• γ: 90°
• Cell volume: 13262.8 ± 0.5 ų
• Cell temperature: 99.9 ± 0.2 K
• Ambient diffraction temperature: 99.9 ± 0.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No