Information card for entry 7035388

Structure parameters

• Formula: C36 H72 N6 O10 Pd S4
• Calculated formula: C36 H72 N6 O10 Pd S4
• SMILES: N(=O)(=O)[O-].C1C[S](CC(=O)N(C(C)C)C(C)C)[Pd]2([S]1CC(=O)N(C(C)C)C(C)C)[S](CC[S]2CC(=O)N(C(C)C)C(C)C)CC(=O)N(C(C)C)C(C)C.N(=O)(=O)[O-]
• 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: 7.3801 ± 0.0007 Å
• b: 11.9176 ± 0.0013 Å
• c: 14.8102 ± 0.0014 Å
• α: 107.383 ± 0.009°
• β: 90.55 ± 0.008°
• γ: 90.063 ± 0.008°
• Cell volume: 1243 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.2236
• Weighted residual factors for all reflections included in the refinement: 0.2306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No