Information card for entry 4065982

Structure parameters

• Formula: C36 H37 Cl N3 O3 P Pd
• Calculated formula: C36 H37 Cl N3 O3 P Pd
• SMILES: [Pd]12(c3c(C4=[N]2[C@H](CN4c2ccc(cc2)OC)C(C)C)cccc3O[P@@]21OC([C@@H]1CCCN21)(c1ccccc1)c1ccccc1)Cl
• Title of publication: Diphenylprolinol-Derived Symmetrical and Unsymmetrical Chiral Pincer Palladium(II) and Nickel(II) Complexes: Synthesis via One-Pot Phosphorylation/Metalation Reaction and C−H Activation
• Authors of publication: Niu, Jun-Long; Chen, Qing-Tao; Hao, Xin-Qi; Zhao, Qing-Xiang; Gong, Jun-Fang; Song, Mao-Ping
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 9
• Pages of publication: 2148
• a: 10.277 ± 0.002 Å
• b: 9.5577 ± 0.0019 Å
• c: 17.088 ± 0.003 Å
• α: 90°
• β: 96.5 ± 0.03°
• γ: 90°
• Cell volume: 1667.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No