Information card for entry 2203649

Structure parameters

• Chemical name: Tetrakis[1-tert-butyl-1H-imidazole-2(3H)-thione-κS]palladium(II) dichloride dichloromethane disolvate
• Formula: C30 H52 Cl6 N8 Pd S4
• Calculated formula: C30 H52 Cl6 N8 Pd S4
• SMILES: C1(N(C=CN1)C(C)(C)C)=[S][Pd]([S]=c1N(C=CN1)C(C)(C)C)([S]=C1N(C=CN1)C(C)(C)C)[S]=C1N(C=CN1)C(C)(C)C.C(Cl)Cl.[Cl-].C(Cl)Cl.[Cl-]
• Title of publication: Tetrakis[1-<i>tert</i>-butyl-1<i>H</i>-imidazole-2(3<i>H</i>)-thione-κ<i>S</i>]palladium(II) dichloride dichloromethane disolvate
• Authors of publication: Yu-Ling Wang; Wen-Hua Bi; Xing Li; Rong Cao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: m699 - m700
• a: 9.3724 ± 0.0002 Å
• b: 21.9527 ± 0.0004 Å
• c: 11.4474 ± 0.0002 Å
• α: 90°
• β: 111.493 ± 0.001°
• γ: 90°
• Cell volume: 2191.51 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0542
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No