Information card for entry 1560390

Structure parameters

• Formula: C32 H16 Cu F12 N4 O4
• Calculated formula: C32 H16 Cu F12 N4 O4
• SMILES: [Cu]12(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)[n]1ccc(c2nc(c3cc[n]([Cu]45(OC(=CC(=[O]4)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]5)C(F)(F)F)C(F)(F)F)[n]4ccc(cc4)c4nc(cc(c4)c4ccc(cc4)C#N)c4ccncc4)cc3)cc(c2)c2ccc(cc2)C#N)cc1
• Title of publication: Comparitive study on structural, magnetic and spectroscopic properties of four new copper(II) coordination polymers with 4′-substituted terpyridine ligands
• Authors of publication: Toledo, Dominique; Vega, Andrés; Pizarro, Nancy; Baggio, Ricardo; Peña, Octavio; Roisnel, Thierry; Pivan, Jean-Yves; Moreno, Yanko
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2017
• Journal volume: 253
• Pages of publication: 78 - 88
• a: 21.4216 ± 0.0011 Å
• b: 13.9805 ± 0.0008 Å
• c: 25.0391 ± 0.0013 Å
• α: 90°
• β: 115.666 ± 0.002°
• γ: 90°
• Cell volume: 6758.9 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1141
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.176
• Weighted residual factors for all reflections included in the refinement: 0.2005
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No