Information card for entry 4307729

Structure parameters

• Formula: C18.5 H19 Cl Cu N4 O2.5
• Calculated formula: C18.5 H19 Cl Cu N4 O2.5
• Title of publication: Synthesis and Characterization of Copper(II) Complexes of Nonfacially Coordinating Heteroscorpionate Ligands (4-Carboxyphenyl)bis(3,5-dimethylpyrazolyl)methane and (3-Carboxyphenyl)bis(3,5-dimethylpyrazolyl)methane
• Authors of publication: Guillermo A. Santillan; Carl J. Carrano
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1751 - 1759
• a: 9.3 ± 0.003 Å
• b: 15.852 ± 0.005 Å
• c: 13.942 ± 0.006 Å
• α: 90°
• β: 107.607 ± 0.01°
• γ: 90°
• Cell volume: 1959.1 ± 1.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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
• Residual factor for all reflections: 0.1781
• Residual factor for significantly intense reflections: 0.0873
• Weighted residual factors for significantly intense reflections: 0.2288
• Weighted residual factors for all reflections included in the refinement: 0.2832
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No