Information card for entry 7035317

Structure parameters

• Formula: C43 H37 N3
• Calculated formula: C43 H37 N3
• SMILES: N1c2c(N=C(c3ccccc3)c3ccccc3)cc(cc2C(c2cc(cc(N=C(c3ccccc3)c3ccccc3)c12)C)(C)C)C
• Title of publication: Cyclometalation and coupling of a rigid 4,5-bis(imino)acridanide pincer ligand on yttrium.
• Authors of publication: Wong, Edwin W. Y.; Emslie, David J. H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 25
• Pages of publication: 11601 - 11612
• a: 7.9754 ± 0.0003 Å
• b: 12.3322 ± 0.0005 Å
• c: 17.8966 ± 0.0008 Å
• α: 104.062 ± 0.003°
• β: 101.49 ± 0.002°
• γ: 95.503 ± 0.002°
• Cell volume: 1653.85 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for all reflections: 0.0944
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No