Information card for entry 4110834

Structure parameters

• Chemical name: Ir4(CO)8{mu-kappa2-PPh2(o-C6H4)PPh}{mu3-PPh2(eta1:eta2-o-C6H4)}
• Formula: C50 H33 Ir4 O8 P3
• Calculated formula: C50 H33 Ir4 O8 P3
• SMILES: [Ir]1234([Ir]56([Ir]1([Ir]15([P](c5ccccc5)(c5ccccc5)c5ccccc5[P]21c1ccccc1)(C#[O])C#[O])([P](c1ccccc1)(c1ccccc1)[C]13C=CC=C[C]46=1)(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O]
• Title of publication: Synthetic, Electrochemical, and Theoretical Studies of Tetrairidium Clusters Bearing Mono- and Bis[60]fullerene Ligands
• Authors of publication: Bo Keun Park; Gaehang Lee; Kyoung Hoon Kim; Hongkyu Kang; Chang Yeon Lee; Md. Arzu Miah; Jaehoon Jung; Young-Kyu Han; Joon T. Park
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 11160 - 11172
• a: 11.0874 ± 0.001 Å
• b: 11.4719 ± 0.0011 Å
• c: 21.576 ± 0.002 Å
• α: 91.925 ± 0.002°
• β: 101.719 ± 0.002°
• γ: 116.07 ± 0.001°
• Cell volume: 2390.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1476
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No