Information card for entry 4063220

Structure parameters

• Formula: C78.25 H66.5 Cl0.5 Ir2 O3 P6 Pt
• Calculated formula: C78.25 H66.5 Cl0.5 Ir2 O3 P6 Pt
• SMILES: [Pt]1234[Ir]56([Ir]1([P](C[P]5(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](C[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([C]46=O)C#[O])([P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)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: 12.9054 ± 0.0012 Å
• b: 17.315 ± 0.002 Å
• c: 32.573 ± 0.003 Å
• α: 90°
• β: 101.215 ± 0.006°
• γ: 90°
• Cell volume: 7139.6 ± 1.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2179
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections: 0.2144
• Weighted residual factors for significantly intense reflections: 0.133
• Goodness-of-fit parameter for all reflections: 0.935
• Goodness-of-fit parameter for significantly intense reflections: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No