Information card for entry 2236056

Structure parameters

• Chemical name: [<i>N</i>-(1-Azanidyl-2,2,2-trichloroethylidene)-2,2,2- trichloroethanimidamide]copper(II)
• Formula: C8 H4 Cl12 Cu N6
• Calculated formula: C8 H4 Cl12 Cu N6
• SMILES: ClC(C1=NC(=[NH][Cu]2(N1)[NH]=C(N=C(N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)(Cl)Cl
• Title of publication: [<i>N</i>-(1-Azanidyl-2,2,2-trichloroethylidene)-2,2,2-trichloroethanimidamide]copper(II)
• Authors of publication: Shikhaliyev, Namig G.; Maharramov, Abel M.; Muzalevskiy, Vasily M.; Nenajdenko, Valentine G.; Khrustalev, Victor N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: m1220 - m1221
• a: 5.9317 ± 0.0017 Å
• b: 9.078 ± 0.003 Å
• c: 10.831 ± 0.003 Å
• α: 98.475 ± 0.005°
• β: 97.525 ± 0.005°
• γ: 103.662 ± 0.005°
• Cell volume: 552.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes