Information card for entry 7107756

Structure parameters

• Formula: C52 H66 Cl2 F2 N10 O6 Pd2
• Calculated formula: C52 H66 Cl2 F2 N10 O6 Pd2
• SMILES: c1c[n+](c(n1[C@H]1[Pd]2(c3c(N(C1=O)C)cccc3)[Cl][Pd]1([C@@H](n3cc[n+](c3C)Cc3ccc(cc3)F)C(=O)N(C)c3ccccc13)[Cl]2)C)Cc1ccc(cc1)F.N(C=O)(C)C.N(C)(C)C=O.N(C=O)(C)C.N(C)(C)C=O
• Title of publication: Formation of CC-type palladacycles with assistance from an apparently innocent NH(CO) functional group
• Authors of publication: Jhen-Yi Lee; Yao-Huei Huang; Shu-Ya Liu; Shun-Chu Cheng; Yang-Ming Jhou; Jenn-Huei Lii; Hon Man Lee
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 5632
• a: 9.4686 ± 0.0011 Å
• b: 11.5276 ± 0.0014 Å
• c: 13.1627 ± 0.0016 Å
• α: 90.963 ± 0.007°
• β: 106.242 ± 0.006°
• γ: 94.606 ± 0.007°
• Cell volume: 1373.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0662
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No