Information card for entry 7007616

Structure parameters

• Common name: [In(ArNCHCPhCHNAr)(NHAr)2]
• Formula: C57 H77 In N4
• Calculated formula: C57 H77 In N4
• SMILES: [In]1(N(C=C(C=[N]1c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1c(cccc1C(C)C)C(C)C)(Nc1c(cccc1C(C)C)C(C)C)Nc1c(cccc1C(C)C)C(C)C
• Title of publication: The beta-dialdiminato ligand [{N(C6H3Pri(2)-2,6)C(H)}2CPh]-: the conjugate acid and Li, Al, Ga and In derivatives.
• Authors of publication: Cheng, Yanxiang; Doyle, David J.; Hitchcock, Peter B.; Lappert, Michael F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 37
• Pages of publication: 4449 - 4460
• a: 12.1201 ± 0.0002 Å
• b: 22.6524 ± 0.0003 Å
• c: 37.2258 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10220.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No