Information card for entry 7009902

Structure parameters

• Common name: Re2Br3(CO)6+Ru2Br3(C12H18)2
• Formula: C30 H36 Br6 O6 Re2 Ru2
• Calculated formula: C30 H36 Br6 O6 Re2 Ru2
• SMILES: C(#[O])[Re]12(C#[O])(C#[O])[Br][Re]([Br]1)([Br]2)(C#[O])(C#[O])C#[O].[c]12(CC)[cH]3[c]4(CC)[cH]5[c]6(CC)[cH]1[Ru]1723456[Br][Ru]23456([Br]1)([Br]7)[c]1(CC)[cH]2[c]3(CC)[cH]4[c]5([cH]61)CC
• 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: 15.334 ± 0.0011 Å
• b: 15.1881 ± 0.0009 Å
• c: 17.0439 ± 0.001 Å
• α: 90°
• β: 91.68 ± 0.008°
• γ: 90°
• Cell volume: 3967.7 ± 0.4 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: 0.0468
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No