Information card for entry 7017221

Structure parameters

• Formula: C76 H98 B2 F8 N8 Pd4 S6
• Calculated formula: C76 H98 B2 F8 N8 Pd4 S6
• 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: 15.3906 ± 0.0004 Å
• b: 24.2174 ± 0.0006 Å
• c: 24.4807 ± 0.0007 Å
• α: 90°
• β: 90.714 ± 0.001°
• γ: 90°
• Cell volume: 9123.7 ± 0.4 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: 0.0859
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1743
• Weighted residual factors for all reflections included in the refinement: 0.1873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No