Information card for entry 7018768

Structure parameters

• Formula: C43 H35 Cu F3 Fe N O P2
• Calculated formula: C43 H35 Cu F3 Fe N O P2
• SMILES: [Cu]1([P]([c]23[cH]4[Fe]56789%102([c]2([cH]5[cH]9[cH]6[cH]82)[P]1(c1ccccc1)c1ccccc1)[cH]4[cH]%10[cH]37)(c1ccccc1)c1ccccc1)N(c1ccc(C)cc1)C(=O)C(F)(F)F
• Title of publication: Synthesis, crystal structures and reactivity of copper(i) amidate complexes with aryl halides: insight into copper(i)-catalyzed Goldberg reaction
• Authors of publication: Liu, Xinfang; Zhang, Songlin; Ding, Yuqiang
• Journal of publication: Dalton Transactions
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 19
• Pages of publication: 5897
• a: 9.5178 ± 0.0019 Å
• b: 22.194 ± 0.004 Å
• c: 17.301 ± 0.004 Å
• α: 90°
• β: 92.38 ± 0.03°
• γ: 90°
• Cell volume: 3651.5 ± 1.3 ų
• Cell temperature: 223.15 K
• Ambient diffraction temperature: 223.15 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1055
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No