Information card for entry 7017220

Structure parameters

• Formula: C30 H38 Br2 Cl4 N4 Pd2 S2
• Calculated formula: C30 H38 Br2 Cl4 N4 Pd2 S2
• Title of publication: Syntheses and characterizations of thiolato-functionalized N-heterocyclic carbene Pd(ii) complexes with normal and mesoionic binding modes.
• Authors of publication: Yuan, Dan; Huynh, Han Vinh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 44
• Pages of publication: 11698 - 11703
• a: 16.9381 ± 0.0014 Å
• b: 8.983 ± 0.0007 Å
• c: 24.9425 ± 0.0019 Å
• α: 90°
• β: 91.468 ± 0.002°
• γ: 90°
• Cell volume: 3793.9 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1321
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.1432
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No