Information card for entry 4021741

Structure parameters

• Chemical name: Dilithium 2,7-Bis(1,1-dimethylethyl)9,9-dimethyl-4,5-bis(1-(2,3-dimethyl phenylamido)-3-(2,3-dimethylphenylimino)iso-propenyl)-xanthene
• Formula: C73 H98 Li2 N4 O4
• Calculated formula: C73 H98 Li2 N4 O4
• Title of publication: Xanthene-Based Ligand with Two Adjacent β-Diiminato Binding Sites
• Authors of publication: Maurice Frederic Pilz; Christian Limberg; Burkhard Ziemer
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 4559 - 4564
• a: 17.47 ± 0.002 Å
• b: 28.695 ± 0.004 Å
• c: 27.5 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13786 ± 3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1582
• Residual factor for significantly intense reflections: 0.0907
• Weighted residual factors for significantly intense reflections: 0.2299
• Weighted residual factors for all reflections included in the refinement: 0.2549
• Goodness-of-fit parameter for all reflections included in the refinement: 0.87
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No