Information card for entry 4131797

Structure parameters

• Formula: C107 H170 Al2 Ir2 N4 Si4
• Calculated formula: C107 H170 Al2 Ir2 N4 Si4
• Title of publication: Aluminabenzene-Rh and -Ir Complexes: Synthesis, Structure, and Application toward Catalytic C-H Borylation.
• Authors of publication: Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 49
• Pages of publication: 17763 - 17766
• a: 13.4845 ± 0.0016 Å
• b: 14.673 ± 0.0016 Å
• c: 14.8811 ± 0.0019 Å
• α: 73.347 ± 0.007°
• β: 71.377 ± 0.007°
• γ: 68.568 ± 0.007°
• Cell volume: 2548.6 ± 0.5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No