Information card for entry 4102959

Structure parameters

• Formula: C34 H34 B2 Fe N6 O6 S4
• Calculated formula: C34 H34 B2 Fe N6 O6 S4
• Title of publication: Layer-by-Layer Synthesis of Metal-Containing Conducting Polymers: Caged Metal Centers for Interlayer Charge Transport
• Authors of publication: Wenjun Liu; Weijie Huang; Maren Pink; Dongwhan Lee
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 11844 - 11846
• a: 28.888 ± 0.004 Å
• b: 9.1516 ± 0.0013 Å
• c: 16.023 ± 0.003 Å
• α: 90°
• β: 121.953 ± 0.008°
• γ: 90°
• Cell volume: 3594.2 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0525
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No