Information card for entry 4332139

Structure parameters

• Formula: C19 H22 Cl2 O2 Pd S3
• Calculated formula: C19 H22 Cl2 O2 Pd S3
• SMILES: [Pd]1(Cl)(Cl)[S]2CCSCc3c(OCOc4c(C[S]1CC2)cccc4)cccc3
• Title of publication: Assembly of a Heterobinuclear 2-D Network: A Rare Example of Endo- and Exocyclic Coordination of PdII/AgIin a Single Macrocycle
• Authors of publication: Yoon, Il; Seo, Joobeom; Lee, Ji-Eun; Park, Ki-Min; Kim, Jae Sang; Lah, Myoung Soo; Lee, Shim Sung
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 9
• Pages of publication: 3487 - 3489
• a: 10.6041 ± 0.0012 Å
• b: 10.6566 ± 0.0012 Å
• c: 10.9529 ± 0.0012 Å
• α: 83.109 ± 0.002°
• β: 69.472 ± 0.002°
• γ: 67.026 ± 0.002°
• Cell volume: 1067 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0756
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No