Information card for entry 4067719

Structure parameters

• Formula: C32 H32 Br2 N4 Pd S2
• Calculated formula: C32 H32 Br2 N4 Pd S2
• SMILES: C1(N(c2ccccc2N1Cc1ccccc1SC)C)=[Pd](Br)(=C1N(c2ccccc2N1Cc1ccccc1SC)C)Br
• Title of publication: Syntheses, Structures, and Catalytic Activities of Hemilabile Thioether-Functionalized NHC Complexes
• Authors of publication: Huynh, Han Vinh; Yeo, Chun Hui; Chew, Ying Xia
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 6
• Pages of publication: 1479
• a: 15.221 ± 0.0009 Å
• b: 12.7785 ± 0.0008 Å
• c: 17.3098 ± 0.0011 Å
• α: 90°
• β: 109.851 ± 0.001°
• γ: 90°
• Cell volume: 3166.7 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No