Information card for entry 7238759

Structure parameters

• Formula: C44 H36 B Cl3 F2 Fe2 N2
• Calculated formula: C44 H36 B Cl3 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: 12.2026 ± 0.001 Å
• b: 15.5375 ± 0.0013 Å
• c: 20.834 ± 0.002 Å
• α: 90°
• β: 90.456 ± 0.008°
• γ: 90°
• Cell volume: 3950 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1026
• Residual factor for significantly intense reflections: 0.0826
• Weighted residual factors for significantly intense reflections: 0.2261
• Weighted residual factors for all reflections included in the refinement: 0.2555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No