Information card for entry 7113539

Structure parameters

• Formula: C28 H27 Cl N P Pd
• Calculated formula: C28 H27 Cl N P Pd
• SMILES: [Pd]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)(Cl)[NH]=Cc2c(C)cc(C)cc2C1
• Title of publication: The first NH aldimine organometallic compound. Isolation and crystal structure
• Authors of publication: Albert, Joan; Cadena, J. Magali; González, Asensio; Granell, Jaume; Solans, Xavier; Font-Bardia, Mercè
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 4
• Pages of publication: 528 - 529
• a: 10.167 ± 0.001 Å
• b: 24.941 ± 0.001 Å
• c: 10.624 ± 0.001 Å
• α: 90°
• β: 114.264 ± 0.001°
• γ: 90°
• Cell volume: 2456 ± 0.3 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: 0.0556
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103983
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No