Information card for entry 4082900

Structure parameters

• Formula: C50 H38 B2 F4 Fe2 N4 O2
• Calculated formula: C50 H38 B2 F4 Fe2 N4 O2
• Title of publication: Heteroatom-Connected Ferrocenyl BODIPYs: Synthesis, Structure, and Properties
• Authors of publication: Misra, Rajneesh; Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 7
• Pages of publication: 1867
• a: 7.8849 ± 0.0001 Å
• b: 10.0374 ± 0.0002 Å
• c: 26.0231 ± 0.0005 Å
• α: 90°
• β: 94.228 ± 0.002°
• γ: 90°
• Cell volume: 2053.96 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0284
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No