Information card for entry 7009904

Structure parameters

• Formula: C13 H15 Br3 Ir O3 Re
• Calculated formula: C13 H15 Br3 Ir O3 Re
• SMILES: [Ir]123456([Br][Re]([Br]1)([Br]2)(C#[O])(C#[O])C#[O])[c]1([c]3([c]4([c]6([c]51C)C)C)C)C
• Title of publication: Heterometallic bromo-bridged complexes with a Re(CO)3 fragment
• Authors of publication: da Silva, Ana C.; Piotrowski, Holger; Mayer, Peter; Polborn, Kurt; Severin, Kay
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 17
• Pages of publication: 2960
• a: 9.7123 ± 0.0007 Å
• b: 14.9342 ± 0.001 Å
• c: 12.2606 ± 0.001 Å
• α: 90°
• β: 90.574 ± 0.01°
• γ: 90°
• Cell volume: 1778.3 ± 0.2 ų
• Cell temperature: 200 ± 3 K
• Ambient diffraction temperature: 200 ± 3 K
• Number of distinct elements: 6
• 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: 0.0341
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No