Information card for entry 7000287

Structure parameters

• Formula: C52 H72 Cu4 F24 N12 O8 P4
• Calculated formula: C52 H72 Cu4 F24 N12 O8 P4
• SMILES: CC12C[N]3(CC[NH]4CC5=[O][Cu]678OC(=[O][Cu]9%10%11OC(C[NH]9CC[N]9%11CC(C)(C9)c9cccc[n]%109)=[O][Cu]9%10%11OC(C[NH]9CC[N]9%11CC(C)(C9)c9cccc[n]%109)=[O][Cu]34(O5)[n]3ccccc23)C[NH]6CC[N]28CC(C)(C2)c2cccc[n]72)C1.[F-]P(F)(F)(F)(F)F.[F-]P(F)(F)(F)(F)F.[F-]P(F)(F)(F)(F)F.[F-]P(F)(F)(F)(F)F
• Title of publication: Functionalised azetidines as ligands: species derived by selective alkylation at substituent-nitrogen
• Authors of publication: Lee, Young Hoon; Harrowfield, Jack M.; Kim, Jong Seung; Kim, Yang; Lee, Min Hee; Lim, Woo Taik; Park, Yu Cheol; Thuéry, Pierre
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 3
• Pages of publication: 443 - 454
• a: 10.3003 ± 0.0006 Å
• b: 12.6293 ± 0.0005 Å
• c: 15.2026 ± 0.001 Å
• α: 69.109 ± 0.004°
• β: 84.125 ± 0.003°
• γ: 69.732 ± 0.004°
• Cell volume: 1732.72 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.2193
• Weighted residual factors for all reflections included in the refinement: 0.231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No