Information card for entry 7013182

Structure parameters

• Formula: C14 H28 N8 P2 Pd S2
• Calculated formula: C14 H28 N8 P2 Pd S2
• SMILES: c1(n(CC=C)nnn1)S[Pd]([P](C)(C)C)([P](C)(C)C)Sc1n(CC=C)nnn1
• Title of publication: Reactivity of di(azido)bis(phosphine) complexes of Ni(ii), Pd(ii) and Pt(ii) toward organic isothiocyanates: synthesis, structures, and properties of bis(tetrazole-thiolato) and bis(isothiocyanato) complexes
• Authors of publication: Kim, Yong-Joo; Han, Jin-Taek; Kang, Seok; Han, Won Seok; Lee, Soon W.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 17
• Pages of publication: 3357
• a: 12.015 ± 0.002 Å
• b: 8.3887 ± 0.0004 Å
• c: 11.8788 ± 0.0009 Å
• α: 90°
• β: 96.749 ± 0.01°
• γ: 90°
• Cell volume: 1189 ± 0.2 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: 0.0271
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No