Information card for entry 7000294

Structure parameters

• Formula: C30 H33 Cl Cu F6 N3 O1.5 P2
• Calculated formula: C30 H33 Cl Cu F6 N3 O1.5 P2
• SMILES: [Cu]123(Cl)[n]4ccccc4C4(C)C[N]1(C4)CC[NH]2Cc1ccccc1P(=[O]3)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].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: 13.345 ± 0.003 Å
• b: 16.135 ± 0.003 Å
• c: 17.13 ± 0.003 Å
• α: 63.31 ± 0.03°
• β: 86.81 ± 0.03°
• γ: 76.71 ± 0.03°
• Cell volume: 3202.4 ± 1.5 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: 0.0719
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.177
• Weighted residual factors for all reflections included in the refinement: 0.1876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.76999 Å
• Diffraction radiation type: SynchrotronRadiation
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No