Information card for entry 8000115

Structure parameters

• Formula: C22 H21 Cl N4 Pd S2
• Calculated formula: C22 H21 Cl N4 Pd S2
• SMILES: [Pd]12([S]=C(c3n2c(cc3)C(=[S]1)NCc1ccccc1)NCc1ccccc1)Cl.N#CC
• Title of publication: Synthesis and Structural Features of a Series of κ3SNS Pincer Complexes of Group 10 Metals σ-Bonded to Centered Pyrrolate Unit
• Authors of publication: Okamoto, Ken; Kanbara, Takaki; Yamamoto, Takakazu
• Journal of publication: Chemistry Letters
• Year of publication: 2006
• Journal volume: 35
• Journal issue: 6
• Pages of publication: 558
• a: 8.896 ± 0.003 Å
• b: 16.151 ± 0.005 Å
• c: 15.829 ± 0.005 Å
• α: 90°
• β: 100.089 ± 0.004°
• γ: 90°
• Cell volume: 2239.1 ± 1.2 ų
• Cell temperature: 113.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for all reflections included in the refinement: 0.0435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No