Information card for entry 4063222

Structure parameters

• Formula: C56 H46 Cl2 Ir2 O5 P4 Pt
• Calculated formula: C56 H46 Cl2 Ir2 O5 P4 Pt
• SMILES: [Pt]12([Ir]34([Ir]1([P](C[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C4=O)(C#[O])C#[O])([P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C#[O])C#[O].C(Cl)Cl
• Title of publication: Complexes with Platinum-Iridium Bonds: Stepwise Formation of a PtIr2 Cluster Complex
• Authors of publication: Brian T. Sterenberg; Hilary A. Jenkins; Richard J. Puddephatt
• Journal of publication: Organometallics
• Year of publication: 1999
• Journal volume: 18
• Pages of publication: 219 - 226
• a: 13.1864 ± 0.0003 Å
• b: 13.5273 ± 0.0006 Å
• c: 17.0829 ± 0.0006 Å
• α: 76.184 ± 0.002°
• β: 77.205 ± 0.002°
• γ: 67.111 ± 0.002°
• Cell volume: 2697.7 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for all reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.0616
• Goodness-of-fit parameter for all reflections: 0.998
• Goodness-of-fit parameter for significantly intense reflections: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No