Information card for entry 1560387

Structure parameters

• Formula: C30 H17 Cu F12 N3 O4 S
• Calculated formula: C30 H17 Cu F12 N3 O4 S
• 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: 12.243 ± 0.002 Å
• b: 15.603 ± 0.003 Å
• c: 16.475 ± 0.003 Å
• α: 90°
• β: 90.73 ± 0.03°
• γ: 90°
• Cell volume: 3146.9 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.154
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.2072
• Weighted residual factors for all reflections included in the refinement: 0.2523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No