Information card for entry 4077896

Structure parameters

• Formula: C36.5 H39.5 Cl3 N2 O4.75 P Pd
• Calculated formula: C36.5 H39.5 Cl3 N2 O4.75 P Pd
• Title of publication: Synthesis and Reactivity of [PdCl2{C,N-C6H4C(═NHXy)NH2-2}] and Neutral Palladium 1,2-Dihydroquinazolinium-4-yl Complexes: Depalladation Reactions
• Authors of publication: Mart\?ínez-Martínez, Antonio-Jesús; Vicente, José; Chicote, Mar\?ía-Teresa; Bautista, Delia
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 7
• Pages of publication: 2697
• a: 11.3406 ± 0.0009 Å
• b: 11.5447 ± 0.0009 Å
• c: 14.9407 ± 0.0011 Å
• α: 89.173 ± 0.002°
• β: 83.977 ± 0.002°
• γ: 68.88 ± 0.002°
• Cell volume: 1814 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No