Information card for entry 4346135

Structure parameters

• Formula: C28 H19 N3
• Calculated formula: C28 H19 N3
• Title of publication: Synthesis and charge-transfer dynamics in a ferrocene-containing organoboryl aza-BODIPY donor-acceptor triad with boron as the hub.
• Authors of publication: Maligaspe, Eranda; Pundsack, Tom J.; Albert, Lauren M.; Zatsikha, Yuriy V.; Solntsev, Pavlo V.; Blank, David A.; Nemykin, Victor N.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 4167 - 4174
• a: 33.0628 ± 0.0007 Å
• b: 33.0628 ± 0.0007 Å
• c: 4.877 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4617 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No