Information card for entry 2007979

Structure parameters

• Chemical name: dichloro bis (1-phenylpyrazole) copper (II)
• Formula: C18 H16 Cl2 Cu N4
• Calculated formula: C18 H16 Cl2 Cu N4
• SMILES: [Cu](Cl)(Cl)([n]1cccn1c1ccccc1)[n]1cccn1c1ccccc1
• 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: 14.795 ± 0.001 Å
• b: 14.795 ± 0.001 Å
• c: 16.634 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3641 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 110
• Hermann-Mauguin space group symbol: I 41 c d
• Hall space group symbol: I 4bw -2c
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No