Information card for entry 2240360

Structure parameters

• Chemical name: {1-(2,3-Dimethyl-5-oxido-1-phenyl-1<i>H</i>-pyrazol-2-ium-4-yl-κ<i>O</i>)-2-[3-methyl-5-oxo-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-4-ylidene-κ<i>O</i>]hydrazinido-κ<i>N</i>^1^}chloridocopper(II)
• Formula: C21 H19 Cl Cu N6 O2
• Calculated formula: C21 H19 Cl Cu N6 O2
• SMILES: c1cc(ccc1)n1c2O[Cu]3([N](=Nc2c(n1)C)C1C(N(N(C=1C)C)c1ccccc1)=[O]3)Cl
• Title of publication: Crystal structure of {1-(2,3-dimethyl-5-oxido-1-phenyl-1<i>H</i>-pyrazol-2-ium-4-yl-κ<i>O</i>)-2-[3-methyl-5-oxo-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-4-ylidene-κ<i>O</i>]hydrazinido-κ<i>N</i>^1^}chloridocopper(II) from laboratory X-ray powder data
• Authors of publication: Kovalchukova, Olga; Nguen, Van; Strashnova, Svetlana; Kuznetsov, Dmitry; Berikashvili, Teimuraz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: 124 - 127
• a: 15.152 ± 0.0018 Å
• b: 22.1306 ± 0.0017 Å
• c: 6.731 ± 0.0014 Å
• α: 90°
• β: 101.8 ± 0.02°
• γ: 90°
• Cell volume: 2209.4 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Goodness-of-fit parameter for all reflections: 1.317
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54059 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes