Information card for entry 4066033

Structure parameters

• Formula: C22 H30 Cl2 Pd2 S2
• Calculated formula: C22 H30 Cl2 Pd2 S2
• SMILES: C1[S](C(C)(C)C)[Pd]2(c3c1cccc3)[Cl][Pd]1(c3c(cccc3)C[S]1C(C)(C)C)[Cl]2
• Title of publication: Synthesis and Complexation of a New Tripodal Tetradentate Ligand, a Silyl Ligand Tethered with Three Thioether Moieties
• Authors of publication: Takeda, Nobuhiro; Watanabe, Daisuke; Nakamura, Tetsu; Unno, Masafumi
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 13
• Pages of publication: 2839
• a: 8.1701 ± 0.0007 Å
• b: 5.7673 ± 0.0005 Å
• c: 25.136 ± 0.002 Å
• α: 90 ± 0.001°
• β: 97.2075 ± 0.0011°
• γ: 90 ± 0.001°
• Cell volume: 1175.03 ± 0.17 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0244
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No