Information card for entry 4310459

Structure parameters

• Formula: C92 H90 Ir2 N4 O12 P8
• Calculated formula: C92 H90 Ir2 N4 O12 P8
• SMILES: [Ir]1234(OP5(=O)OP(O1)(=O)OP1(=O)O[Ir]678(OP(=O)(O1)O5)[CH]1=[CH]6CC[CH]7=[CH]8CC1)[CH]1=[CH]2CC[CH]3=[CH]4CC1.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.N#CC.N#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: 12.114 ± 0.001 Å
• b: 14.482 ± 0.002 Å
• c: 25.103 ± 0.003 Å
• α: 83.798 ± 0.009°
• β: 82.657 ± 0.01°
• γ: 83.01 ± 0.009°
• Cell volume: 4316.2 ± 0.9 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: 0.0404
• Weighted residual factors for all reflections included in the refinement: 0.0415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.238
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No