Information card for entry 2243228

Structure parameters

• Chemical name: Diaquabis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II) bis(2-nitrobenzoate)
• Formula: C18 H28 Cu N6 O10
• Calculated formula: C18 H28 Cu N6 O10
• Title of publication: Crystal structure and Hirshfeld surface analysis of a copper(II) complex with ethylenediamine and non-coordinated benzoate
• Authors of publication: Qadir, Adnan M.; Kansiz, Sevgi; Rosair, Georgina M.; Dege, Necmi; Iskenderov, Turganbay S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 1
• Pages of publication: 111 - 114
• a: 26.7742 ± 0.0016 Å
• b: 20.8916 ± 0.0014 Å
• c: 8.4254 ± 0.0005 Å
• α: 90°
• β: 93.46 ± 0.003°
• γ: 90°
• Cell volume: 4704.2 ± 0.5 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes