Information card for entry 7050625

Structure parameters

• Formula: C26 H36 B Cu4 F9 N18 O2
• Calculated formula: C26 H36 B Cu4 F9 N18 O2
• Title of publication: A unique methoxo- and fluoro-bridged triangular trinuclear Cu(ii) species linked in a lattice via mononuclear Cu(ii) units. Synthesis, X-ray structure and magnetism of [Cu4(2-aminopyrimidine)6(�3-OCH3)2(�-F)3(F)2](BF4)Electronic supplementary information (ESI) available: fitting of the magnetic coupling according to Scheme 2(a). See http://www.rsc.org/suppdata/nj/b3/b304979e/
• Authors of publication: van Albada, Gerard A.; Roubeau, Olivier; Mutikainen, Ilpo; Turpeinen, Urho; Reedijk, Jan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 12
• Pages of publication: 1693
• a: 11.899 ± 0.006 Å
• b: 21.435 ± 0.008 Å
• c: 16.727 ± 0.007 Å
• α: 90°
• β: 108.64 ± 0.04°
• γ: 90°
• Cell volume: 4043 ± 3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• 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: 0.1752
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1711
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No