Information card for entry 7009900

Structure parameters

• Formula: C26 H28 Br6 O6 Re2 Ru2
• Calculated formula: C26 H28 Br6 O6 Re2 Ru2
• SMILES: [Re]12([Br][Re]([Br]1)([Br]2)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].[Ru]1234567([Br][Ru]89%10%11%12([Br]1)([Br]2)[c]1([cH]8[cH]9[c]%10([cH]%11[cH]%121)C)C(C)C)[c]1([cH]3[cH]4[c]5([cH]6[cH]71)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: 9.6067 ± 0.0013 Å
• b: 12.8694 ± 0.0014 Å
• c: 16.152 ± 0.004 Å
• α: 77.44 ± 0.02°
• β: 78.986 ± 0.015°
• γ: 71.207 ± 0.011°
• Cell volume: 1829.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.054
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for all reflections: 0.1133
• Weighted residual factors for significantly intense reflections: 0.1037
• Goodness-of-fit parameter for all reflections: 1.131
• Goodness-of-fit parameter for significantly intense reflections: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No