Information card for entry 4114969

Structure parameters

• Common name: Dipp*InBArF
• Formula: C48 H37 B F15 In
• Calculated formula: C48 H37 B F15 In
• SMILES: [In]1([B](c2c([F]1)c(F)c(F)c(F)c2F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: The "Diindene" ArInInAr (Ar = C6H3-2,6-Dipp2, Dipp = C6H3-2,6-Pri2). Dimeric versus Monomeric In(I) Aryls: para-Substituent Effects in Terphenyl Ligands
• Authors of publication: Robert J. Wright; Andrew D. Phillips; Ned J. Hardman; Philip P. Power
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 8538 - 8539
• a: 17.2344 ± 0.0009 Å
• b: 23.2126 ± 0.0012 Å
• c: 22.2382 ± 0.0012 Å
• α: 90°
• β: 102.738 ± 0.004°
• γ: 90°
• Cell volume: 8677.6 ± 0.8 ų
• Cell temperature: 91 ± 2 K
• Ambient diffraction temperature: 91 ± 2 K
• Number of distinct elements: 5
• 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: 0.0686
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No