Information card for entry 4303490

Structure parameters

• Formula: C52 H42 Fe2 N2 O4
• Calculated formula: C52 H42 Fe2 N2 O4
• 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: 12.614 ± 0.003 Å
• b: 12.629 ± 0.003 Å
• c: 13.098 ± 0.003 Å
• α: 83.014 ± 0.003°
• β: 73.77 ± 0.003°
• γ: 81.552 ± 0.003°
• Cell volume: 1974.5 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.169
• Weighted residual factors for all reflections included in the refinement: 0.195
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.6911 Å
• Diffraction radiation type: SYNCHROTRON
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No