Information card for entry 7023449

Structure parameters

• Formula: C30 H19 B Cl1.5 F2 Fe N2
• Calculated formula: C30 H19 B Cl1.5 F2 Fe N2
• Title of publication: Donor-acceptor meso-alkynylated ferrocenyl BODIPYs: synthesis, structure, and properties.
• Authors of publication: Misra, Rajneesh; Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 37
• Pages of publication: 13658 - 13666
• a: 15.2883 ± 0.0005 Å
• b: 7.3885 ± 0.0002 Å
• c: 22.5986 ± 0.0006 Å
• α: 90°
• β: 94.043 ± 0.003°
• γ: 90°
• Cell volume: 2546.33 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.2049
• Weighted residual factors for all reflections included in the refinement: 0.2274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No