Information card for entry 2243785

Structure parameters

• Chemical name: Bis(2-nitrobenzoato-κ<i>O</i>)(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II)
• Formula: C20 H24 Cu N4 O8
• Calculated formula: C20 H24 Cu N4 O8
• SMILES: C[N]1(C)[Cu](OC(=O)c2ccccc2N(=O)=O)([N](C)(C)CC1)OC(=O)c1ccccc1N(=O)=O
• Title of publication: Crystal structure and Hirshfeld surface analysis of a copper(II) complex containing 2-nitrobenzoate and tetramethylethylenediamine ligands
• Authors of publication: Kansiz, Sevgi; Qadir, Adnan M.; Dege, Necmi; Yongxin, Li; Saif, Eiad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 4
• Pages of publication: 412 - 415
• a: 12.7286 ± 0.0003 Å
• b: 7.4918 ± 0.0002 Å
• c: 22.8967 ± 0.0006 Å
• α: 90°
• β: 98.395 ± 0.001°
• γ: 90°
• Cell volume: 2160.04 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes