Information card for entry 4065984

Structure parameters

• Formula: C40 H37 I N2 O4 P2 Pd
• Calculated formula: C40 H37 I N2 O4 P2 Pd
• SMILES: [Pd]12(I)[P@@]3(OC([C@H]4N3CCC4)(c3ccccc3)c3ccccc3)Oc3c2c(O[P@@]21OC([C@H]1N2CCC1)(c1ccccc1)c1ccccc1)ccc3
• 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: 10.615 ± 0.002 Å
• b: 13.686 ± 0.003 Å
• c: 14.57 ± 0.003 Å
• α: 100.1 ± 0.03°
• β: 95.9 ± 0.03°
• γ: 110.97 ± 0.03°
• Cell volume: 1914 ± 0.9 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No