Information card for entry 7000288

Structure parameters

• Formula: C36 H44 Cl2 Cu2 N8 O12
• Calculated formula: C36 H44 Cl2 Cu2 N8 O12
• SMILES: c1cccc2C3(C[N]4([Cu]56([NH](Cc7[n]5cccc7)CC4)([O]=C4C(=[O][Cu]578([n]9ccccc9C9(C[N]5(C9)CC[NH]7Cc5[n]8cccc5)C)O4)O6)[n]12)C3)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• 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: 14.0027 ± 0.0003 Å
• b: 13.6908 ± 0.0004 Å
• c: 20.8482 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3996.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No