Information card for entry 7031712

Structure parameters

• Formula: C52 H88 Cl4 Cu4 Fe2 P4
• Calculated formula: C52 H88 Cl4 Cu4 Fe2 P4
• SMILES: [c]123[cH]4[cH]5[cH]6[cH]1[Fe]17893456[c]3([cH]9[cH]8[cH]7[cH]13)[P](C(C)(C)C)(C(C)(C)C)[Cu]13[Cl]4[Cu]5([P]2(C(C)(C)C)C(C)(C)C)[Cl]2[Cu]46[Cl]3[Cu]2([Cl]15)[P]([c]12[cH]3[cH]4[cH]5[cH]1[Fe]17892345[c]2([cH]1[cH]7[cH]8[cH]29)[P]6(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Syntheses, characterization, and structural studies of copper(i) complexes containing 1,1'-bis(di-tert-butylphosphino)ferrocene (dtbpf) and their application in palladium-catalyzed Sonogashira coupling of aryl halides.
• Authors of publication: Trivedi, Manoj; Singh, Gurmeet; Kumar, Abhinav; Rath, Nigam P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 36
• Pages of publication: 13620 - 13629
• a: 16.4372 ± 0.0015 Å
• b: 25.568 ± 0.003 Å
• c: 30.217 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12699 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0924
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No