Information card for entry 4060438

Structure parameters

• Formula: C64 H57 Ir O3 P4 S2
• Calculated formula: C64 H57 Ir O3 P4 S2
• SMILES: [Ir]123(OO1)([S]=P(C1=[P]3(C(P(=[S]2)(c2ccccc2)c2ccccc2)=C(C=C1c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1
• Title of publication: On the regioselectivity of the addition of O2 on SPS-based Rh(I) and Ir(I) complexes
• Authors of publication: M. Doux; L. Ricard; P. Le Floch; Y. Jean
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 16.891 ± 0.002 Å
• b: 13.116 ± 0.001 Å
• c: 28.127 ± 0.003 Å
• α: 90°
• β: 106.87 ± 0.01°
• γ: 90°
• Cell volume: 5963.2 ± 1.1 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No