Information card for entry 4060158

Structure parameters

• Chemical name: Ir4(CO)6(mu-CO){mu3-kappa2-Ph2P(o-C6H4)P(eta1-o-C6H4)}(mu3-eta2:eta2:eta2-C60)
• Formula: C92 H18 Ir4 O7 P2 S2
• Calculated formula: C92 H18 Ir4 O7 P2 S2
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 16.301 ± 0.003 Å
• b: 24.121 ± 0.005 Å
• c: 17.57 ± 0.004 Å
• α: 90°
• β: 107.518 ± 0.004°
• γ: 90°
• Cell volume: 6588 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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
• Residual factor for all reflections: 0.1103
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.2001
• Weighted residual factors for all reflections included in the refinement: 0.213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No