Information card for entry 2011152

Structure parameters

• Chemical name: cis-Dichloro(5,8-dioxa-2,11-dithia[12]-o-cyclophane)palladium(II)
• Formula: C14 H20 Cl2 O2 Pd S2
• Calculated formula: C14 H20 Cl2 O2 Pd S2
• SMILES: [Pd]1(Cl)(Cl)[S]2CCOCCOCC[S]1Cc1c(C2)cccc1
• Title of publication: <i>cis</i>-Dichloro(5,8-dioxa-2,11-dithia[12]-<i>o</i>-cyclophane)palladium(II)
• Authors of publication: Yoon, Il; Yoo, Byeong Soon; Lee, Shim Sung; Kim, Bong Gon
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 7
• Pages of publication: 758 - 759
• a: 8.1698 ± 0.0004 Å
• b: 14.3745 ± 0.0007 Å
• c: 14.9238 ± 0.0008 Å
• α: 90°
• β: 99.649 ± 0.001°
• γ: 90°
• Cell volume: 1727.81 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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 all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes