Information card for entry 4069130

Structure parameters

• Common name: 7a
• Formula: C41 H61 Cl N2 O Pd2
• Calculated formula: C41 H61 Cl N2 O Pd2
• SMILES: [Pd]12([N](=Cc3c4[O]1[Pd]([Cl]2)([N](=Cc4cc(c3)C)c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)C.CCCCCC
• 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: 12.7053 ± 0.0016 Å
• b: 19.68 ± 0.002 Å
• c: 17.0706 ± 0.0017 Å
• α: 90°
• β: 107.443 ± 0.005°
• γ: 90°
• Cell volume: 4072.1 ± 0.8 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0723
• 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: Yes
• Has Fobs: No