Information card for entry 4074279

Structure parameters

• Formula: C29 H23 Br4 Cl3 N2 Pd2 S2
• Calculated formula: C29 H23 Br4 Cl3 N2 Pd2 S2
• Title of publication: Convenient Entry to Mono- and Dinuclear Palladium(II) Benzothiazolin-2-ylidene Complexes and Their Activities toward Heck Coupling
• Authors of publication: Yen, Swee Kuan; Koh, Lip Lin; Hahn, F. Ekkehardt; Huynh, Han Vinh; Hor, T. S. Andy
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 21
• Pages of publication: 5105
• a: 9.2077 ± 0.0014 Å
• b: 11.6041 ± 0.0018 Å
• c: 16.817 ± 0.003 Å
• α: 78.703 ± 0.003°
• β: 74.761 ± 0.004°
• γ: 85.044 ± 0.003°
• Cell volume: 1698.9 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0994
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No