Information card for entry 7024588

Structure parameters

• Formula: C262 H200 Ir16 O36 P12
• Calculated formula: C262 H200 Ir16 O36 P12
• SMILES: C(#[O])[Ir]12(C#[O])(C#[O])[Ir]3456(C(=O)[Ir]7815(C(=O)[Ir]268(C#[O])(C3=O)[P](c1ccccc1)(c1ccccc1)Cc1ccc(C[P](c2ccccc2)(c2ccccc2)[Ir]2356(C#[O])C(=O)[Ir]89%106(C(=O)[Ir]39(C2=O)(C#[O])([P](c2ccccc2)(Cc2ccc(cc2)C[P](c2ccccc2)(c2ccccc2)[Ir]2369(C(=O)[Ir]%11%123(C(=O)[Ir]9%12(C#[O])(C2=O)([P](Cc2ccc(cc2)C[P]8(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[Ir]6%11(C#[O])(C#[O])C#[O])(C#[O])[P](Cc2ccc(C[P](c3ccccc3)(c3ccccc3)[Ir]3689(C(=O)[Ir]%11%128(C(=O)[Ir]6%11(C#[O])(C3=O)([P](Cc3ccc(C[P]7(c6ccccc6)c6ccccc6)cc3)(c3ccccc3)c3ccccc3)[Ir]9%12(C#[O])(C#[O])C#[O])(C#[O])[P](Cc3ccc(C[P]4(c4ccccc4)c4ccccc4)cc3)(c3ccccc3)c3ccccc3)C#[O])cc2)(c2ccccc2)c2ccccc2)C#[O])c2ccccc2)[Ir]5%10(C#[O])(C#[O])C#[O])C#[O])cc1)C#[O])C#[O].c1(ccccc1)C.c1(ccccc1)C.c1ccccc1.c1ccccc1C.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: 14.829 ± 0.004 Å
• b: 18.483 ± 0.005 Å
• c: 48.91 ± 0.013 Å
• α: 91.942 ± 0.002°
• β: 91.431 ± 0.002°
• γ: 94.306 ± 0.002°
• Cell volume: 13355 ± 6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1056
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1764
• Weighted residual factors for all reflections included in the refinement: 0.1941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No