Information card for entry 7012141

Structure parameters

• Formula: C54 H50 F12 N4 P4 Ru2
• Calculated formula: C54 H50 F12 N4 P4 Ru2
• SMILES: [cH]12[c]3([Ru]451([N]#CC)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([cH]2[cH]4[cH]35)[N]#CC)[c]12[cH]3[cH]4[cH]5[cH]1[Ru]2345([N]#CC)([N]#CC)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis of the first non-carbonyl cisoid fulvalene complexes with an Ru–Ru bond bridged by thiolate ligands
• Authors of publication: Watanabe, Masanobu; Sato, Masaru; Kai, Masahiro
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 4
• Pages of publication: 651
• a: 9.151 ± 0.0008 Å
• b: 10.18 ± 0.002 Å
• c: 15.852 ± 0.002 Å
• α: 83.319 ± 0.006°
• β: 103.008 ± 0.007°
• γ: 104.474 ± 0.008°
• Cell volume: 1390.3 ± 0.4 ų
• Cell temperature: 298 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0892
• Weighted residual factors for significantly intense reflections: 0.1845
• Weighted residual factors for all reflections included in the refinement: 0.1876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No