Information card for entry 4303491

Structure parameters

• Formula: C56.5 H48 Co2 N2 O4 S4
• Calculated formula: C56.5 H48 Co2 N2 O4 S4
• Title of publication: Building Multistate Redox-Active Architectures Using Metal-Complex Functionalized Perylene Bis-imides
• Authors of publication: Gudrun Goretzki; E. Stephen Davies; Stephen P. Argent; John E. Warren; Alexander J. Blake; Neil R. Champness
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10264 - 10274
• a: 13.2568 ± 0.0006 Å
• b: 13.7187 ± 0.0006 Å
• c: 14.9131 ± 0.0007 Å
• α: 95.129 ± 0.001°
• β: 108.214 ± 0.001°
• γ: 108.376 ± 0.001°
• Cell volume: 2391.2 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.6911 Å
• Diffraction radiation type: SYNCHROTRON
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No