Information card for entry 7000293

Structure parameters

• Formula: C36 H45 Cl Cu2 F12 N6 O2 P2
• Calculated formula: C36 H45 Cl Cu2 F12 N6 O2 P2
• SMILES: [Cu]123([Cl][Cu]456[OH]c7ccccc7C[NH]6CC[N]65CC(C6)(C)c5[n]4cccc5)[OH]c4ccccc4CN3CC[N]32CC(C3)(C)c2[n]1cccc2.[P](F)(F)(F)(F)(F)[F-].[P](F)(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: 11.499 ± 0.002 Å
• b: 13.853 ± 0.003 Å
• c: 15.187 ± 0.003 Å
• α: 100.04 ± 0.03°
• β: 104.44 ± 0.03°
• γ: 104.47 ± 0.03°
• Cell volume: 2195.1 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0912
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.2059
• Weighted residual factors for all reflections included in the refinement: 0.2218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.76999 Å
• Diffraction radiation type: SynchrotronRadiation
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No