Information card for entry 7009899

Structure parameters

• Formula: C21 H18 Br3 O3 Re Ru
• Calculated formula: C21 H18 Br3 O3 Re Ru
• SMILES: C(#[O])[Re]12([Br][Ru]34567([cH]8[cH]5[cH]6[cH]7[cH]4[cH]38)([Br]1)[Br]2)(C#[O])C#[O].c1ccccc1.c1ccccc1
• 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: 11.896 ± 0.003 Å
• b: 11.297 ± 0.003 Å
• c: 18.236 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2450.7 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for all reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.0683
• Goodness-of-fit parameter for all reflections: 1.203
• Goodness-of-fit parameter for significantly intense reflections: 1.18
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No