Information card for entry 4070588

Structure parameters

• Formula: C79 H68 B7 Cu Fe2 Ir N O5 P4
• Calculated formula: C79 H68 B7 Cu Fe2 Ir N O5 P4
• 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][Cu]([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)([P]2(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 16.49 ± 0.003 Å
• b: 19.83 ± 0.003 Å
• c: 24.01 ± 0.003 Å
• α: 90°
• β: 98.589 ± 0.006°
• γ: 90°
• Cell volume: 7763 ± 2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1988
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.2052
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No