Information card for entry 7010952

Structure parameters

• Common name: (MeNEt3)2[Pd(dmit)2]
• Formula: C20 H36 N2 Pd S10
• Calculated formula: C20 H36 N2 Pd S10
• SMILES: C12S[Pd]3(SC=2SC(=S)S1)SC1=C(S3)SC(=S)S1.C[N+](CC)(CC)CC.C[N+](CC)(CC)CC
• Title of publication: Syntheses and crystal structures of the molecular conductors Z[Pd(dmit)2]2{Z = (Me3NEt)+, (MeNEt3)+, (NEt4)+} and their precursors Z2[Pd(dmit)2]
• Authors of publication: Fang Qi; Thomas C. W. Mak; Zhou Zhong-Yuan; Yang Qing-Chuan; Liu Zhi; Yu Wen-Tao; Zhu Dao-Ben; Jiang Min-Hua
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 7
• Pages of publication: 1377 - 1385
• a: 10.41 ± 0.002 Å
• b: 12.937 ± 0.003 Å
• c: 23.445 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3157.4 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No