Information card for entry 7019159

Structure parameters

• Formula: C17 H40 Cl4 N2 P2 Pd S
• Calculated formula: C17 H40 Cl4 N2 P2 Pd S
• SMILES: [Pd]12(Cl)[S](CCN[P]1(C(C)C)C(C)C)CCN[P]2(C(C)C)C(C)C.[Cl-].ClCCl
• Title of publication: Ni(ii), Pd(ii) and Pt(ii) complexes of PNP and PSP tridentate amino-phosphine ligands.
• Authors of publication: Sgro, Michael J.; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 22
• Pages of publication: 6791 - 6802
• a: 8.4324 ± 0.0004 Å
• b: 11.4053 ± 0.0006 Å
• c: 15.4027 ± 0.0008 Å
• α: 81.069 ± 0.002°
• β: 74.771 ± 0.002°
• γ: 68.76 ± 0.002°
• Cell volume: 1329.25 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No