Information card for entry 4088420

Structure parameters

• Formula: C47.72 H46 Br2 Cu2 Fe2 N2 O2
• Calculated formula: C47.72 H46 Br2 Cu2 Fe2 N2 O2
• Title of publication: Unprecedented Formation of π-Copper Complexes during Sonogashira Coupling: Synthesis of a Unique, Recyclable, Ethynyl Ferrocene Derived Cu(I) Specific Ligand
• Authors of publication: Deb, Mayukh; Kumar, Dheeraj; Singh, Jatinder; Elias, Anil J.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 8
• Pages of publication: 1086
• a: 8.846 ± 0.003 Å
• b: 11.295 ± 0.004 Å
• c: 12.422 ± 0.004 Å
• α: 72.46 ± 0.007°
• β: 73.915 ± 0.006°
• γ: 70.961 ± 0.007°
• Cell volume: 1096.5 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No