Information card for entry 4078405

Structure parameters

• Formula: C47 H42 F3 N3 O3 P2 Pd S
• Calculated formula: C47 H42 F3 N3 O3 P2 Pd S
• Title of publication: Palladium(II) Complexes of Monoaryliminophosphorane Derivatives of 1,2-Bis(Diphenylphosphino)methane. Crystal Structure of [Pd{κ2-C6H3(NN−C6H4Me-4‘)-2- (C6H4Me-4‘‘)-5-C,N‘}{κ2-PPh2CH2P(NC6H4Me-4)Ph2-P,N}]†
• Authors of publication: Vicente, José; Arcas, Aurelia; Bautista, Delia; Ramírez de Arellano, M. Carmen
• Journal of publication: Organometallics
• Year of publication: 1998
• Journal volume: 17
• Journal issue: 21
• Pages of publication: 4544
• a: 18.439 ± 0.002 Å
• b: 14.5052 ± 0.0011 Å
• c: 18.754 ± 0.002 Å
• α: 90°
• β: 117.019 ± 0.007°
• γ: 90°
• Cell volume: 4468.5 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for all reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.0723
• Goodness-of-fit parameter for all reflections: 1.001
• Goodness-of-fit parameter for significantly intense reflections: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No