Information card for entry 4322374

Structure parameters

• Formula: C40 H40 Cl2 I2 N3 P Ru S2
• Calculated formula: C40 H40 Cl2 I2 N3 P Ru S2
• SMILES: [Ru]1234([S](C)c5ccccc5[NH]2Cc2[n]4c(C[NH]3c3c([S]1C)cccc3)ccc2)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[I-].[I-].C(Cl)Cl
• Title of publication: Transition Metal Complexes with Sulfur Ligands. 136.1 Enforced Trans Coordination of Thiolate Donors in Electron Rich Iron, Ruthenium, and Nickel [M(L)(pyN~2~H~2~S~2~)] and [M(L)(pyS~4~)] Complexes (L = CO, PPh~3~, DMSO) (pyN2H2S22-= 2,6-Bis(2-mercaptophenylamino)dimethylpyridine(2-); pyS4^2-^ = 2,6-Bis(2-mercaptophenylthio)dimethylpyridine(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: 5314 - 5322
• a: 10.595 ± 0.001 Å
• b: 23.426 ± 0.002 Å
• c: 16.846 ± 0.002 Å
• α: 90°
• β: 92.85 ± 0.01°
• γ: 90°
• Cell volume: 4176 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections: 0.1199
• Weighted residual factors for significantly intense reflections: 0.1038
• Goodness-of-fit parameter for all reflections: 0.866
• Goodness-of-fit parameter for significantly intense reflections: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No