Information card for entry 7010950

Structure parameters

• Common name: (Me3NEt)2[Pd(dmit)2]
• Formula: C16 H28 N2 Pd S10
• Calculated formula: C16 H28 N2 Pd S10
• SMILES: C12=C(S[Pd]3(S1)SC1=C(S3)SC(=S)S1)SC(=S)S2.C(C)[N+](C)(C)C.C(C)[N+](C)(C)C
• 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: 11.471 ± 0.003 Å
• b: 10.522 ± 0.003 Å
• c: 12.358 ± 0.002 Å
• α: 90°
• β: 111.76 ± 0.015°
• γ: 90°
• Cell volume: 1385.3 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0827
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1856
• Weighted residual factors for all reflections included in the refinement: 0.2004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No