Information card for entry 7002088

Structure parameters

• Formula: C32 H30 Br2 N4 Pd S
• Calculated formula: C32 H30 Br2 N4 Pd S
• SMILES: [Pd]1(Br)(Br)=C2N(c3ccccc3N2CCSCCN2C3=C(N(Cc4ccccc4)C=12)cccc3)Cc1ccccc1
• Title of publication: Syntheses and catalytic activities of pseudo-pincer and CSC pincer-type Pd(II) complexes derived from benzannulated N-heterocyclic carbenes
• Authors of publication: Huynh, Han Vinh; Yuan, Dan; Han, Yuan
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 7262
• a: 11.8217 ± 0.0009 Å
• b: 11.8738 ± 0.0009 Å
• c: 12.7681 ± 0.0009 Å
• α: 69.492 ± 0.002°
• β: 75.399 ± 0.002°
• γ: 64.829 ± 0.001°
• Cell volume: 1507.98 ± 0.19 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.163
• Weighted residual factors for all reflections included in the refinement: 0.1697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No