Information card for entry 4310462

Structure parameters

• Formula: C96 H110 N6 O16 P8 Ru2
• Calculated formula: C96 H78 N6 O16 P8 Ru2
• SMILES: c1(ccccc1)[P](c1ccccc1)([Ru]1([N]#CC)([N]#CC)(OP2(=O)OP3(=O)O[Ru]([N]#CC)([N]#CC)(OP(=O)(O3)OP(=O)(O1)O2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.N#CC.OCC.O(CC)CC.N#CC.OCC.O(CC)CC
• Title of publication: Synthesis and Characterization of Cyclotetraphosphato Complexes of Rh(I), Ir(I), Ru(II), and Pd(II)
• Authors of publication: Sou Kamimura; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 399 - 401
• a: 11.134 ± 0.001 Å
• b: 14.932 ± 0.002 Å
• c: 15.744 ± 0.002 Å
• α: 92.54 ± 0.01°
• β: 104.713 ± 0.009°
• γ: 96.186 ± 0.01°
• Cell volume: 2509.9 ± 0.5 ų
• Cell temperature: 294.2 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 significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.1731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.613
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No