Information card for entry 2203999

Structure parameters

• Chemical name: Diaquabis(ethylenediamine-κ^2^N,N')copper(II) bis(4-fluorobenzoate)
• Formula: C18 H28 Cu F2 N4 O6
• Calculated formula: C18 H28 Cu F2 N4 O6
• SMILES: C1[NH2][Cu]2([NH2]CC[NH2]2)[NH2]C1.c1(ccc(cc1)F)C(=O)[O-].O.c1(ccc(cc1)F)C(=O)[O-].O
• Title of publication: Diaquabis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II) bis(4-fluorobenzoate)
• Authors of publication: Liu, Zhao-Di; Tan, Min-Yu; Zhu, Hai-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: m1081 - m1083
• a: 6.131 ± 0.001 Å
• b: 7.144 ± 0.001 Å
• c: 14.498 ± 0.003 Å
• α: 95.72 ± 0.03°
• β: 96.37 ± 0.03°
• γ: 115.15 ± 0.03°
• Cell volume: 563.6 ± 0.2 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: 0.0586
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1799
• Weighted residual factors for all reflections included in the refinement: 0.1805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No