Information card for entry 2007978

Structure parameters

• Chemical name: dichlorobis(5-phenylpyrazole)copper(II)
• Formula: C18 H16 Cl2 Cu N4
• Calculated formula: C18 H16 Cl2 Cu N4
• SMILES: c1[n]([Cu](Cl)(Cl)[n]2ccc([nH]2)c2ccccc2)[nH]c(c1)c1ccccc1
• Title of publication: Investigations of Complexes of Copper(II) Chloride with Phenylpyrazoles
• Authors of publication: Małecka, Magdalena; Grabowski, Mieczysław J.; Olszak, Tomasz A.; Kostka, K.; Strawiak, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1770 - 1773
• a: 8.041 ± 0.002 Å
• b: 15.768 ± 0.003 Å
• c: 14.549 ± 0.002 Å
• α: 90°
• β: 91.73 ± 0.02°
• γ: 90°
• Cell volume: 1843.8 ± 0.6 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 0.824
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No