Information card for entry 4313065

Structure parameters

• Formula: C58 H54 P4 Ru S2
• Calculated formula: C58 H54 P4 Ru S2
• SMILES: [Ru]123([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(C[P]2(c1ccccc1)c1ccccc1)c1ccccc1)SCS3.c1ccccc1C
• Title of publication: Novel Double Insertion of Carbon Disulfide into Two Ru-H Bonds of [(dppm)2Ru(H)2] (dppm = Ph2PCH2PPh2): Synthesis and Crystal Structure of a Methanedithiolate Complex
• Authors of publication: Thirumanavelan Gandhi; Munirathinam Nethaji; Balaji R. Jagirdar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 667 - 669
• a: 13.721 ± 0.0009 Å
• b: 14.2316 ± 0.0009 Å
• c: 14.9978 ± 0.001 Å
• α: 85.278 ± 0.001°
• β: 78.877 ± 0.001°
• γ: 61.796 ± 0.001°
• Cell volume: 2532.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1012
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No