Information card for entry 4318668

Structure parameters

• Formula: C36 H4 Cl2 Co8 O32 Re2
• Calculated formula: C36 H4 Cl2 Co8 O32 Re2
• SMILES: Cl[Re]1234[O]=C([C]56=[CH]7[Co]5(C#[O])(C#[O])(C#[O])[Co]67(C#[O])(C#[O])C#[O])O[Re]3(Cl)([O]=C([C]35=[CH]6[Co]3(C#[O])(C#[O])(C#[O])[Co]56(C#[O])(C#[O])C#[O])O2)(OC([C]23=[CH]5[Co]2(C#[O])(C#[O])(C#[O])[Co]35(C#[O])(C#[O])C#[O])=[O]1)[O]=C([C]12=[CH]3[Co]1(C#[O])(C#[O])(C#[O])[Co]23(C#[O])(C#[O])C#[O])O4
• Title of publication: New Dirhenium(III) Compounds Bridged by Carboxylate Ligands: N(C4H9)4[Re2(OOCCF3)Cl6] and Re2(OOCCCHCo2(CO)6)4Cl2
• Authors of publication: Andrés Vega; Víctor Calvo; Jorge Manzur; Evgenia Spodine; Jean-Yves Saillard
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5382 - 5387
• a: 10.215 ± 0.003 Å
• b: 25.64 ± 0.007 Å
• c: 10.474 ± 0.003 Å
• α: 90°
• β: 96.36 ± 0.02°
• γ: 90°
• Cell volume: 2726.4 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0876
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No