Information card for entry 8101818

Structure parameters

• Chemical name: bis[μ2-(3-benzimidazol-2-yl)-2-ethanethiolato-N,S,S)-chloro-palladium(II)]
• Formula: C20 H24 Cl2 N4 O Pd2 S2
• Calculated formula: C20 H24 Cl2 N4 O Pd2 S2
• SMILES: [Pd]12([S](CCc3[n]4c5ccccc5[nH]3)[Pd]4(Cl)[S]1CCc1[n]2c3ccccc3[nH]1)Cl.OCC
• Title of publication: Crystal structure of bis[μ~2~-(3-benzimidazol-2-yl)-2-ethanethiolato- N,S,S)-chloro-palladium(II)], [(C~6~H~4~N~2~HCCH~2~CH~2~S)PdCl]~2~ · C~2~H~5~OH
• Authors of publication: M. Somer; D. Haciu; N. M. Agh-Atabay; H. Borrmann
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 3
• Pages of publication: 441 - 442
• a: 8.7958 ± 0.0013 Å
• b: 9.8436 ± 0.0013 Å
• c: 14.718 ± 0.002 Å
• α: 94.33 ± 0.006°
• β: 98.546 ± 0.006°
• γ: 99.258 ± 0.007°
• Cell volume: 1237.3 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0869
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No