Information card for entry 7003357

Structure parameters

• Chemical name: N,N'-Dicyclohexyl-N-diphenylphosphino-acetamidine palladium dichloride
• Formula: C27 H35 Cl5 D N2 P Pd
• Calculated formula: C27 H36 Cl5 N2 P Pd
• SMILES: [Pd]1(Cl)(Cl)[P](N(C(=[N]1C1CCCCC1)C)C1CCCCC1)(c1ccccc1)c1ccccc1.ClC(Cl)Cl
• Title of publication: N-Phosphino-amidines and -guanidines: synthesis, structure and P,N-chelate chemistry
• Authors of publication: Baiget, Lise; Batsanov, Andrei S.; Dyer, Philip W.; Fox, Mark A.; Hanton, Martin J.; Howard, Judith A. K.; Lane, Philip K.; Solomon, Sophia A.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 8
• Pages of publication: 1043 - 1054
• a: 8.0573 ± 0.0005 Å
• b: 22.988 ± 0.0017 Å
• c: 16.8757 ± 0.001 Å
• α: 90°
• β: 98.13 ± 0.01°
• γ: 90°
• Cell volume: 3094.3 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.0493
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No