Information card for entry 7052142

Structure parameters

• Formula: C44.75 H53 B2 Cu3 F8 N6 O6.75
• Calculated formula: C44.75 H53 B2 Cu3 F8 N6 O6.75
• Title of publication: Changes in magnetic properties from solid state to solution in a trinuclear linear copper(ii) complex
• Authors of publication: Koval, Iryna A.; Akhideno, Hilda; Tanase, Stefania; Belle, Catherine; Duboc, Carole; Saint-Aman, Eric; Gamez, Patrick; Tooke, Duncan M.; Spek, Anthony L.; Pierre, Jean-Louis; Reedijk, Jan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2007
• Journal volume: 31
• Journal issue: 4
• Pages of publication: 512
• a: 9.3629 ± 0.0013 Å
• b: 10.7928 ± 0.0009 Å
• c: 12.9505 ± 0.0016 Å
• α: 68.589 ± 0.008°
• β: 83.856 ± 0.009°
• γ: 85.975 ± 0.007°
• Cell volume: 1210.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No