Information card for entry 4321753

Structure parameters

• Formula: C38 H43 Cl4 I2 N2 P Ru S3
• Calculated formula: C38 H43 Cl4 I2 N2 P Ru S3
• SMILES: [Ru]1234([S](C)c5c([NH]3CC[S]1CC[NH]4c1ccccc1[S]2C)cccc5)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[I-].[I-].C(Cl)Cl.C(Cl)Cl
• Title of publication: Transition-Metal Complexes with Sulfur Ligands. 132.1 Electron-Rich Fe and Ru Complexes with [MN~2~S~3~] Cores Containing the New Pentadentate Ligand 'N~2~H~2~S~3~'^2-^ (= 2,2'-Bis(2-mercaptophenylamino)diethyl Sulfide(2-))
• Authors of publication: Dieter Sellmann; Jürgen Utz; Frank W. Heinemann
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 459 - 466
• a: 33.128 ± 0.012 Å
• b: 16.252 ± 0.005 Å
• c: 17.185 ± 0.007 Å
• α: 90°
• β: 109.24 ± 0.05°
• γ: 90°
• Cell volume: 8736 ± 6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for all reflections: 0.0904
• Weighted residual factors for significantly intense reflections: 0.0876
• Goodness-of-fit parameter for all reflections: 0.881
• Goodness-of-fit parameter for significantly intense reflections: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No