Information card for entry 7008787

Structure parameters

• Formula: C16 H30 N3 P Pd S2
• Calculated formula: C16 H30 N3 P Pd S2
• SMILES: [Pd](SC#N)([P](CCC)(CCC)CCC)(N=C=S)C#[N]C(C)(C)C
• Title of publication: Bis(isothiocyanato)bis(phosphine) complexes of group 10 metals: reactivity toward organic isocyanides
• Authors of publication: Chang, Xiaohong; Lee, Kyung-Eun; Il Jeon, Sang; Kim, Yong-Joo; Lee, H.-K.; Lee, Soon W.
• Journal of publication: Dalton Transactions
• Year of publication: 2005
• Journal issue: 23
• Pages of publication: 3722
• a: 13.5684 ± 0.0012 Å
• b: 9.0189 ± 0.0005 Å
• c: 18.6982 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2288.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No