Information card for entry 4069126

Structure parameters

• Common name: 1b
• Formula: C45 H70 N2 O1.5
• Calculated formula: C45 H66 N2 O1.5
• SMILES: Oc1c(cc(cc1/C=N/c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)C)/C=N/c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C.O
• Title of publication: Synthesis and Characterization of Proximal Dinuclear Complexes of Palladium Supported by 2,6-Bis(arylimino)phenoxy (aryl = 2,6-diisopropylphenyl and 2,4,6-tri-tert-butylphenyl) and 3,6-Bis(imino(2,6-diisopropylphenyl))pyridazine Ligands
• Authors of publication: Ohno, Kouji; Arima, Kenji; Tanaka, Shinji; Yamagata, Tsuneaki; Tsurugi, Hayato; Mashima, Kazushi
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 11
• Pages of publication: 3256
• a: 23.821 ± 0.003 Å
• b: 23.821 ± 0.003 Å
• c: 15.377 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8725.5 ± 1.9 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 4
• Space group number: 79
• Hermann-Mauguin space group symbol: I 4
• Hall space group symbol: I 4
• Residual factor for all reflections: 0.1239
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.2463
• Weighted residual factors for all reflections included in the refinement: 0.2801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No