Information card for entry 7050588

Structure parameters

• Formula: C29 H26 N3 O2 P Pd
• Calculated formula: C29 H26 N3 O2 P Pd
• SMILES: [Pd]1(c2c(N=[N]1c1ccccc1)cccc2)(N1C(=O)CCC1=O)[P](c1ccccc1)(c1ccccc1)C
• 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: 14.288 ± 0.0011 Å
• b: 16.726 ± 0.0015 Å
• c: 12.104 ± 0.002 Å
• α: 90°
• β: 112.836 ± 0.004°
• γ: 90°
• Cell volume: 2665.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1397
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No