Information card for entry 7035386

Structure parameters

• Formula: C27 H46 Cl2 N2 O2 Pd S2
• Calculated formula: C27 H46 Cl2 N2 O2 Pd S2
• SMILES: [Pd]1(Cl)(Cl)[S](c2c(ccc(c2)C)[S]1CC(=O)N(CC(C)C)CC(C)C)CC(=O)N(CC(C)C)CC(C)C
• Title of publication: Synthesis, structural and theoretical studies of dithiodiglycolamide compounds of palladium(ii).
• Authors of publication: Vats, Balgovind; Kannan, S.; Sundararajan, Mahesh; Kumar, Mukesh; Drew, M. G. B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 26
• Pages of publication: 11867 - 11876
• a: 13.7993 ± 0.0007 Å
• b: 16.2142 ± 0.0009 Å
• c: 16.6779 ± 0.0009 Å
• α: 77.074 ± 0.005°
• β: 65.654 ± 0.004°
• γ: 89.887 ± 0.004°
• Cell volume: 3296.4 ± 0.3 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: 0.1525
• Residual factor for significantly intense reflections: 0.0971
• Weighted residual factors for significantly intense reflections: 0.2199
• Weighted residual factors for all reflections included in the refinement: 0.2618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No