Information card for entry 7101125

Structure parameters

• Formula: C32 H30 Al2 Fe N6
• Calculated formula: C32 H30 Al2 Fe N6
• SMILES: C[Al]12c3cccc[n]3[Fe]34([n]5c1cccc5)([n]1c2cccc1)[n]1c([Al](C)(c2cccc[n]32)c2cccc[n]42)cccc1
• Title of publication: A Simple Route to Heterometallic Transition Metal/Aluminium(III) Complexes via Transfer of the [MeAl(2-py)3]- anion (2-py== 2-pyridyl)
• Authors of publication: Dominic S. Wright; Carmen Soria Alvarez; Felipe Garcia; Alexander Hopkins; Simon M. Humphrey; Richard A. Kowenicki; Richard A. Layfield; M. McPartlin; Robert Raja; Michael C. Rogers; Anthony Woods
• Journal of publication: Chemical Communications
• Year of publication: 2005
• Journal issue: 2
• a: 10.2291 ± 0.0005 Å
• b: 10.2291 ± 0.0005 Å
• c: 33.6643 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3050.5 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No