Information card for entry 7022096

Structure parameters

• Formula: C27 H19 B F2 Fe N2
• Calculated formula: C27 H19 B F2 Fe N2
• Title of publication: Donor-acceptor, ferrocenyl substituted BODIPYs with marvelous supramolecular interactions.
• Authors of publication: Dhokale, Bhausaheb; Gautam, Prabhat; Mobin, Shaikh M.; Misra, Rajneesh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 5
• Pages of publication: 1512 - 1518
• a: 10.9439 ± 0.0011 Å
• b: 6.9521 ± 0.0004 Å
• c: 28.537 ± 0.0019 Å
• α: 90°
• β: 93.478 ± 0.007°
• γ: 90°
• Cell volume: 2167.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1132
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No