Information card for entry 4078737

Structure parameters

• Chemical name: [Pd2(CH3)2Cl2(dppcb)]
• Formula: C66 H78 Cl2 N4 O4 P4 Pd2
• Calculated formula: C66 H78 Cl2 N4 O4 P4 Pd2
• SMILES: [C@H]12[P](c3ccccc3)(c3ccccc3)[Pd](C)(Cl)[P]([C@H]1[C@H]1[C@@H]2[P](c2ccccc2)(c2ccccc2)[Pd](C)([P]1(c1ccccc1)c1ccccc1)Cl)(c1ccccc1)c1ccccc1.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C
• Title of publication: Regioselective Hydromethoxycarbonylation of Terminal Alkynes Catalyzed by Palladium(II)‒Tetraphos Complexes
• Authors of publication: Oberhauser, Werner; Ienco, Andrea; Vizza, Francesco; Trettenbrein, Barbara; Oberhuber, Dennis; Strabler, Christof; Ortner, Teresa; Brüggeller, Peter
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 13
• Pages of publication: 4832
• a: 11.4567 ± 0.0004 Å
• b: 12.3501 ± 0.0004 Å
• c: 12.3652 ± 0.0005 Å
• α: 73.181 ± 0.003°
• β: 84.086 ± 0.003°
• γ: 76.133 ± 0.003°
• Cell volume: 1624.85 ± 0.11 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No