Information card for entry 7024587

Structure parameters

• Formula: C242 H184 Ir16 O36 P12
• Calculated formula: C242 H184 Ir16 O36 P12
• SMILES: [P]1([Ir]2345(C#[O])C(=O)[Ir]6783([P](c3ccccc3)(c3ccccc3)Cc3ccc(cc3)C[P]([Ir]39%10%11(C(=O)[Ir]%12%139([P](Cc9ccc(C[P]([Ir]%14%15%16%17(C#[O])C(=O)[Ir]%18%19%20%15([P](c%15ccccc%15)(c%15ccccc%15)Cc%15ccc(cc%15)C[P]([Ir]%15%21%22%23(C(=O)[Ir]%24%25%15([P](Cc%15ccc(C1)cc%15)(c1ccccc1)c1ccccc1)(C#[O])C(=O)[Ir]%23%25([Ir]%21%24(C#[O])(C#[O])C#[O])([P](Cc1ccc(C[P]([Ir]%16%19(C%14=O)(C%18=O)(C#[O])[Ir]%17%20(C#[O])(C#[O])C#[O])(c%14ccccc%14)c%14ccccc%14)cc1)(c1ccccc1)c1ccccc1)(C#[O])C%22=O)C#[O])(c1ccccc1)c1ccccc1)C#[O])(c1ccccc1)c1ccccc1)cc9)(c1ccccc1)c1ccccc1)(C#[O])C(=O)[Ir]%10%12([P](Cc1ccc(C[P]([Ir]47(C2=O)(C6=O)(C#[O])[Ir]58(C#[O])(C#[O])C#[O])(c2ccccc2)c2ccccc2)cc1)(c1ccccc1)c1ccccc1)(C#[O])(C3=O)[Ir]%11%13(C#[O])(C#[O])C#[O])C#[O])(c1ccccc1)c1ccccc1)C#[O])(c1ccccc1)c1ccccc1.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Four tetrairidium carbonyl clusters linked by six diphosphino ligands: synthesis and X-ray structure of [{Ir(4)(CO)(9)}(4)(dppmb)(6)] (dppmb = 1,4-bis(diphenylphosphinomethyl)benzene.
• Authors of publication: Peli, Giulia; Daghetta, Matteo; Macchi, Piero; Sironi, Angelo; Garlaschelli, Luigi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 5
• Pages of publication: 1188 - 1190
• a: 18.8355 ± 0.0018 Å
• b: 14.9833 ± 0.0014 Å
• c: 49.076 ± 0.005 Å
• α: 90°
• β: 91.906 ± 0.001°
• γ: 90°
• Cell volume: 13842 ± 2 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1846
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.1751
• Weighted residual factors for all reflections included in the refinement: 0.2177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No