Information card for entry 7203333

Structure parameters

• Formula: C76 H64 Co2 N4 O12
• Calculated formula: C76 H52 Co2 N4 O12
• Title of publication: Di- and trinuclear Co<small>^II</small> complexes of a bis-β-diketone ligand with variable conformation: structure and magnetic studies
• Authors of publication: Guillem Aromí; Helen Stoeckli-Evans; Simon J. Teat; Joan Cano; Joan Ribas
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2006
• Journal volume: 16
• Journal issue: 26
• Pages of publication: 2635
• a: 13.0139 ± 0.0004 Å
• b: 16.3755 ± 0.0005 Å
• c: 15.3571 ± 0.0005 Å
• α: 90°
• β: 99.636 ± 0.002°
• γ: 90°
• Cell volume: 3226.56 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0622
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.6898 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No