Information card for entry 7238760

Structure parameters

• Formula: C55 H43 B F2 Fe2 N2
• Calculated formula: C55 H43 B F2 Fe2 N2
• Title of publication: Ferrocenyl BODIPYs: synthesis, structure and properties
• Authors of publication: Gautam, Prabhat; Dhokale, Bhausaheb; Mobin, Shaikh M.; Misra, Rajneesh
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 32
• Pages of publication: 12105
• a: 29.777 ± 0.003 Å
• b: 11.2969 ± 0.0006 Å
• c: 14.2126 ± 0.001 Å
• α: 90°
• β: 117.784 ± 0.01°
• γ: 90°
• Cell volume: 4229.8 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0841
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No