Information card for entry 7035387

Structure parameters

• Formula: C22 H44 Br2 N2 O2 Pd S2
• Calculated formula: C22 H44 Br2 N2 O2 Pd S2
• SMILES: [Pd]1(Br)(Br)[S](CC[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: 10.9113 ± 0.0011 Å
• b: 11.2873 ± 0.001 Å
• c: 12.6881 ± 0.0016 Å
• α: 93.601 ± 0.009°
• β: 106.481 ± 0.01°
• γ: 92.09 ± 0.008°
• Cell volume: 1493.1 ± 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: 0.1344
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1583
• Weighted residual factors for all reflections included in the refinement: 0.1974
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No