Information card for entry 7000300

Structure parameters

• Formula: C11 H19 Cl2 Cu N3 O
• Calculated formula: C11 H19 Cl2 Cu N3 O
• SMILES: [Cu]12(Cl)(Cl)[n]3ccccc3C3(C)C[N]1(C3)CC[NH2]2.O
• Title of publication: Functionalised azetidines as ligands: pyridyl-complemented coordination
• Authors of publication: Lee, Young Hoon; Harrowfield, Jack; Kim, Yang; Lim, Woo Taik; Park, Yu Cheol; Thuéry, Pierre
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 3
• Pages of publication: 434 - 442
• a: 25.943 ± 0.005 Å
• b: 8.132 ± 0.0016 Å
• c: 17.501 ± 0.004 Å
• α: 90°
• β: 126.79 ± 0.03°
• γ: 90°
• Cell volume: 2956.8 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.76999 Å
• Diffraction radiation type: SynchrotronRadiation
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No