Information card for entry 7035320

Structure parameters

• Formula: C46.5 H40 Li N3
• Calculated formula: C46.5 H40 Li N3
• 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: 11.8264 ± 0.0006 Å
• b: 12.7464 ± 0.0006 Å
• c: 12.7973 ± 0.0007 Å
• α: 101.517 ± 0.003°
• β: 108.568 ± 0.003°
• γ: 94.633 ± 0.003°
• Cell volume: 1770.11 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for all reflections: 0.1627
• Weighted residual factors for significantly intense reflections: 0.1479
• Weighted residual factors for all reflections included in the refinement: 0.1626
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No