Information card for entry 4311237

Structure parameters

• Formula: C15 H13 Cl Cu N4 O2
• Calculated formula: C15 H13 Cl Cu N4 O2
• SMILES: [Cu]12(N(N=C(c3ccccc3)C(=[N]2O)C)C(=O)c2[n]1cccc2)Cl
• Title of publication: Copper(II) Complexes of a Series of Alkoxy Diazine Ligands: Mononuclear, Dinuclear, and Tetranuclear Examples with Structural, Magnetic, and DFT Studies
• Authors of publication: Hilde Grove; Timothy L. Kelly; Laurence K. Thompson; Liang Zhao; Zhiqiang Xu; Tareque S. M. Abedin; David O. Miller; Andrés E. Goeta; Claire Wilson; Judith A. K. Howard
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4278 - 4288
• a: 7.9487 ± 0.0006 Å
• b: 14.3336 ± 0.001 Å
• c: 13.0014 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1481.29 ± 0.18 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0232
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No