Information card for entry 7713822

Structure parameters

• Common name: (C,R,R)-(Bdan)Pd . 0.25 CH3OH
• Chemical name: (C,R,R)-[2,3-butanediyl-di-2-(2-oxy-3,5-di-tert-butylphenyl-imino)benzoate]palladium hemidemimethanol solvate
• Formula: C46.25 H57 N2 O6.25 Pd
• Calculated formula: C46.25 H57 N2 O6.25 Pd
• Title of publication: Optically active bis(aminophenols) and their metal complexes
• Authors of publication: Carbonel, Halen; Mikulski, Timothy D.; Nugraha, Kahargyan; Johnston, James; Wang, Yichun; Brown, Seth N.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 14.7503 ± 0.0005 Å
• b: 19.4021 ± 0.0006 Å
• c: 31.1892 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8925.9 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No