Information card for entry 7009713

Structure parameters

• Common name: [Ir4(CO)8(PPh2)(PHPCPhCPh)(PhPCPhCHPh)]
• Formula: C60 H41 Ir4 O8 P3
• Calculated formula: C60 H41 Ir4 O8 P3
• SMILES: [Ir]12([P]3(c4ccccc4)[Ir]4([P](c5ccccc5)(c5ccccc5)[Ir]([Ir]24(C#[O])(C#[O])/C(=C3\c2ccccc2)c2ccccc2)([P]1(c1ccccc1)/C(=C/c1ccccc1)c1ccccc1)(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O]
• Title of publication: 1,2,3-Triphenylphosphirene derivatives of the iridium carbonyl clusters [HIr4(CO)9L(μ-PPh2)] (L = CO, PPh3) resulting from substitution, insertion and hydrometallation processes †
• Authors of publication: Hitchcock, Peter B.; Nixon, John F.; Vargas, Maria D.; Ziglio, Cláudio M.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 15
• Pages of publication: 2527
• a: 22.206 ± 0.004 Å
• b: 17.563 ± 0.002 Å
• c: 35.748 ± 0.005 Å
• α: 90°
• β: 100.08 ± 0.02°
• γ: 90°
• Cell volume: 13727 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.198
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.1923
• Weighted residual factors for all reflections included in the refinement: 0.2466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No