Information card for entry 4065981

Structure parameters

• Formula: C99 H112 Cl2 N4 O9 P4 Pd2
• Calculated formula: C99 H112 Cl2 N4 O9 P4 Pd2
• SMILES: [Pd]12([P@@]3(OC([C@@H]4CCCN34)(c3ccccc3)c3ccccc3)Oc3c2c(O[P@@]21OC([C@@H]1CCCN21)(c1ccccc1)c1ccccc1)c(cc3C(C)(C)C)C(C)(C)C)Cl.O=C(C)C
• 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: 14.581 ± 0.003 Å
• b: 15.906 ± 0.003 Å
• c: 20.557 ± 0.004 Å
• α: 90°
• β: 91.33 ± 0.03°
• γ: 90°
• Cell volume: 4766.4 ± 1.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0519
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No