Information card for entry 4081515

Structure parameters

• Formula: C50 H48 B Cu F4 Fe N2 O2 P2
• Calculated formula: C50 H48 B Cu F4 Fe N2 O2 P2
• SMILES: [B](F)(F)(F)[F-].[c]123[cH]4[cH]5[cH]6[cH]2[Fe]27893456[c]3([cH]2[cH]7[cH]8[cH]93)[P]([Cu]2([n]3ccccc3c3[n]2cccc3)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(=O)(C)C.C(=O)(C)C
• Title of publication: Heterobimetallic Cu‒dppf (dppf = 1,1′-Bis(diphenylphosphino)ferrocene) Complexes with “Click” Derived Ligands: A Combined Structural, Electrochemical, Spectroelectrochemical, and Theoretical Study
• Authors of publication: Schweinfurth, David; Büttner, Nadin; Hohloch, Stephan; Deibel, Naina; Klein, Johannes; Sarkar, Biprajit
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 20
• Pages of publication: 5834
• a: 19.502 ± 0.005 Å
• b: 20.029 ± 0.005 Å
• c: 14.304 ± 0.005 Å
• α: 90 ± 0.005°
• β: 125.115 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 4570 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• 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: 0.0671
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No