Information card for entry 8102523

Structure parameters

• Chemical name: dicholoro-(3,5-dimethyl-1H-pyrazole-1-carboxamidine-N,N')-copper(II)
• Formula: C6 H10 Cl2 Cu N4
• Calculated formula: C6 H10 Cl2 Cu N4
• SMILES: [Cu]1(Cl)(Cl)[n]2n(C(=[NH]1)N)c(C)cc2C
• Title of publication: Crystal structure of dicholoro-(3,5-dimethyl-1H-pyrazole-1-carboxamidine-N,N')copper(II), Cu(C6H10N4)Cl2
• Authors of publication: Željko K. Jaćimović; Vukadin M. Leovac; Djordje D. Francuski; Bojana M. Draškovic; Goran A. Bogdanovic
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 4
• Pages of publication: 569 - 570
• a: 7.316 ± 0.002 Å
• b: 16.002 ± 0.002 Å
• c: 9.202 ± 0.006 Å
• α: 90°
• β: 113.15 ± 0.02°
• γ: 90°
• Cell volume: 990.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1165
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No