Information card for entry 7000289

Structure parameters

• Formula: C28 H32 Cl0.83333 Cu F N3 O6.33333 P0.1666
• Calculated formula: C28 H32 Cl0.833367 Cu F N3 O6.33367 P0.166667
• 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: 23.3386 ± 0.0009 Å
• b: 23.3386 ± 0.0009 Å
• c: 28.0412 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13227.5 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1732
• Weighted residual factors for all reflections included in the refinement: 0.1853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No