Information card for entry 7101693

Structure parameters

• Formula: C20 H24 Cl2 F2 N2 Pd
• Calculated formula: C20 H24 Cl2 F2 N2 Pd
• SMILES: [Pd]1(Cl)(Cl)[NH]([C@@H]2CCCC[C@H]2[NH]1Cc1ccc(F)cc1)Cc1ccc(F)cc1
• Title of publication: Highly selective R,S-coordination of non racemic (1R,2R)-(1,2-dialkyl)-1,2-diamine cyclohexane derivatives to palladium dichloride.
• Authors of publication: Rafii, Esfandiar; Dassonneville, Benjamin; Heumann, Andreas
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 6
• Pages of publication: 583 - 585
• a: 14.214 ± 0.005 Å
• b: 9.039 ± 0.001 Å
• c: 16.311 ± 0.003 Å
• α: 90°
• β: 100.552 ± 0.008°
• γ: 90°
• Cell volume: 2060.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No