Information card for entry 7018769

Structure parameters

• Formula: C42 H32 Cl Cu F3 Fe N O P2
• Calculated formula: C42 H32 Cl Cu F3 Fe N O P2
• SMILES: [Cu]1([P]([c]23[cH]4[Fe]56789%102([c]2([cH]7[cH]8[cH]6[cH]%102)[P]1(c1ccccc1)c1ccccc1)[cH]4[cH]9[cH]35)(c1ccccc1)c1ccccc1)N(c1ccc(cc1)Cl)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: 9.5154 ± 0.0019 Å
• b: 22.267 ± 0.005 Å
• c: 17.178 ± 0.003 Å
• α: 90°
• β: 92.8 ± 0.03°
• γ: 90°
• Cell volume: 3635.3 ± 1.3 ų
• Cell temperature: 223.15 K
• Ambient diffraction temperature: 223.15 K
• Number of distinct elements: 9
• 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: 0.0717
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No