Information card for entry 4020325

Structure parameters

• Formula: C11 H9 Cl3 Cu N2
• Calculated formula: C11 H9 Cl3 Cu N2
• SMILES: [Cu]1(Cl)(Cl)[n]2c(Cl)cccc2Cc2[n]1cccc2
• Authors of publication: Fabian Mohr; Seth A. Binfield; James C. Fettinger; Andrei N. Vedernikov
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 4833 - 4839
• a: 21.008 ± 0.016 Å
• b: 8.111 ± 0.007 Å
• c: 15.895 ± 0.013 Å
• α: 90°
• β: 99.683 ± 0.013°
• γ: 90°
• Cell volume: 2670 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No