Information card for entry 7013183

Structure parameters

• Formula: C20 H28 N8 P2 Pd S2
• Calculated formula: C20 H28 N8 P2 Pd S2
• SMILES: [Pd]([P](C)(C)C)([P](C)(C)C)(Sc1nnnn1c1ccccc1)Sc1nnnn1c1ccccc1
• 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: 6.1906 ± 0.0014 Å
• b: 17.205 ± 0.003 Å
• c: 12.664 ± 0.002 Å
• α: 90°
• β: 100.531 ± 0.015°
• γ: 90°
• Cell volume: 1326.1 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No