Information card for entry 4070589

Structure parameters

• Formula: C62 H55 Au B7 Cl2 Fe2 Ir N O5 P3
• Calculated formula: C62 H55 Au B7 Cl2 Fe2 Ir N O5 P3
• SMILES: [CH]123[BH]456[BH]781[BH]192[BH]234[B]34%10%119[BH]981[Fe]157(C#[O])(C#[O])(C#[O])[BH]624[Fe]2%1091(C#[O])(C#[O])[Ir]%11([H]3)(c1ccccc1)(C#[N][Au][P](c1ccccc1)(c1ccccc1)c1ccccc1)([P]2(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: Tetrametallic Copper and Gold Derivatives of a Cyano-Iridium-Diiron-Monocarborane Cluster
• Authors of publication: Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 1
• Pages of publication: 148
• a: 15.358 ± 0.005 Å
• b: 15.787 ± 0.005 Å
• c: 15.948 ± 0.006 Å
• α: 85.577 ± 0.009°
• β: 64.734 ± 0.009°
• γ: 66.82 ± 0.009°
• Cell volume: 3195.2 ± 1.9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No