Information card for entry 8000072

Structure parameters

• Formula: C26 H38 Cl3 N7 O10 Pd2 Ru S3
• Calculated formula: C26 H38 Cl3 N7 O10 Pd2 Ru S3
• SMILES: [Pd]123[S]([Ru]45([S]6[Pd](Cl)([S]1CC[NH2]3)[NH2]CC6)([n]1c(cccc1)c1[n]4cccc1)[n]1c(cccc1)c1[n]5cccc1)CC[NH2]2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O
• Title of publication: The First RuIIPdII2S3 Metallochelate Ring Formed on a [Ru(bpy)2]2+ Core
• Authors of publication: Takashi Yoshimura; Atsushi Shinohara; Masakazu Hirotsu; Takumi Konno
• Journal of publication: Chemistry Letters
• Year of publication: 2005
• Journal volume: 34
• Journal issue: 10
• Pages of publication: 1310
• a: 13.71 ± 0.004 Å
• b: 14.199 ± 0.002 Å
• c: 11.059 ± 0.002 Å
• α: 93.93 ± 0.01°
• β: 108.99 ± 0.02°
• γ: 84.12 ± 0.02°
• Cell volume: 2023.6 ± 0.7 ų
• Cell temperature: 293.2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No