Information card for entry 8107370

Structure parameters

• Formula: C50 H72 Al2 B2 O4
• Calculated formula: C50 H72 Al2 B2 O4
• Title of publication: The crystal structure of 1,4-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-3,6-bis ((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylene)-1,4-dialuminacyclohexane – benzene (1/2), C50H72Al2B2O4
• Authors of publication: Wang, Bing; Hu, Bo-Han; Wu, Di
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 1
• Pages of publication: 119 - 121
• a: 8.7261 ± 0.0002 Å
• b: 11.1827 ± 0.0003 Å
• c: 13.8599 ± 0.0004 Å
• α: 112.78 ± 0.001°
• β: 102.541 ± 0.001°
• γ: 93.834 ± 0.001°
• Cell volume: 1199.98 ± 0.06 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No