Information card for entry 7008789

Structure parameters

• Formula: C38 H44 N4 P2 Pd S2
• Calculated formula: C38 H44 N4 P2 Pd S2
• SMILES: [Pd]([P](c1ccccc1)(c1ccccc1)C)([P](c1ccccc1)(c1ccccc1)C)(C#[N]C(C)(C)C)C#[N]C(C)(C)C.[S-]C#N.[S-]C#N
• 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: 10.029 ± 0.004 Å
• b: 11.899 ± 0.003 Å
• c: 17.761 ± 0.005 Å
• α: 90°
• β: 103.217 ± 0.016°
• γ: 90°
• Cell volume: 2063.4 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No