Information card for entry 7009901

Structure parameters

• Common name: (CO)3Re(BR3)Ru(C12H18)
• Formula: C15 H18 Br3 O3 Re Ru
• Calculated formula: C15 H18 Br3 O3 Re Ru
• SMILES: [Re]12([Br][Ru]34567([Br]1)([Br]2)[c]1(CC)[cH]3[c]4(CC)[cH]5[c]6([cH]71)CC)(C#[O])(C#[O])C#[O]
• 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: 8.9917 ± 0.0009 Å
• b: 10.5637 ± 0.0011 Å
• c: 10.9076 ± 0.0011 Å
• α: 111.142 ± 0.011°
• β: 91.8 ± 0.012°
• γ: 96.043 ± 0.012°
• Cell volume: 958.26 ± 0.19 ų
• Cell temperature: 200 ± 3 K
• Ambient diffraction temperature: 200 ± 3 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No