Information card for entry 7050586

Structure parameters

• Formula: C34 H25 F3 N3 O2 P Pd
• Calculated formula: C34 H25 F3 N3 O2 P Pd
• SMILES: [Pd]1([P](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)([N](=Nc2c1cccc2)c1ccccc1)N1C(=O)CCC1=O
• Title of publication: Solid state conformational and theoretical study of complexes containing the (CxN)Pd moiety (CxN = 2-(phenylazo)phenyl-C,N and its derivatives)
• Authors of publication: José Pérez; Luis García; Eduardo Pérez; José Luis Serrano; José Francisco Martínez; Gregorio Sánchez; Gregorio López; Arturo Espinosa; Malva Liu; Franciso Sanz
• Journal of publication: New J. Chem.
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 10
• Pages of publication: 1490 - 1496
• a: 32.628 ± 0.007 Å
• b: 11.079 ± 0.003 Å
• c: 17.333 ± 0.004 Å
• α: 90°
• β: 101.969 ± 0.01°
• γ: 90°
• Cell volume: 6129 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No