Information card for entry 2204002

Structure parameters

• Chemical name: bis[N-(2-hydroxyethyl)ethylenediamine-κ^3^N,N',O]copper(II) bis(4-fluorobenzoate)
• Formula: C22 H32 Cu F2 N4 O6
• Calculated formula: C22 H32 Cu F2 N4 O6
• SMILES: c1c(ccc(c1)C(=O)[O-])F.C1C[NH]2CC[NH2][Cu]342([NH](CC[OH]4)CC[NH2]3)[OH]1.c1c(ccc(c1)C(=O)[O-])F
• Title of publication: A mononuclear copper(II) compound derived from <i>N</i>-(2-hydroxyethyl)ethylenediamine
• Authors of publication: Qu, Yang; You, Zhong-Lu; Liu, Zhao-Di; Zhu, Hai-Liang; Tan, Min-Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: m1187 - m1188
• a: 7.094 ± 0.002 Å
• b: 7.353 ± 0.002 Å
• c: 12.139 ± 0.002 Å
• α: 102.68 ± 0.03°
• β: 100.27 ± 0.03°
• γ: 99.53 ± 0.03°
• Cell volume: 593.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1678
• 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: No
• Has Fobs: Yes