Information card for entry 4309151

Structure parameters

• Common name: JK065
• Chemical name: u-oxalato-bis-[(diphenyldipyrazolylmethane)copper(II) nitrate]
• Formula: C20 H16 Cu N5 O5
• Calculated formula: C20 H16 Cu N5 O5
• Title of publication: Magneto-Structural Relationships in a Series of Dinuclear Oxalato-Bridged (Diphenyldipyrazolylmethane)copper(II) Complexes
• Authors of publication: Janet L. Shaw; Gordon T. Yee; Guangbin Wang; David E. Benson; Cagil Gokdemir; Christopher J. Ziegler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 5060 - 5067
• a: 8.863 ± 0.007 Å
• b: 10.241 ± 0.009 Å
• c: 11.425 ± 0.01 Å
• α: 98.985 ± 0.014°
• β: 110.449 ± 0.013°
• γ: 103.664 ± 0.014°
• Cell volume: 911.1 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No