Information card for entry 4318667

Structure parameters

• Formula: C8 Cl2 O8 Re2
• Calculated formula: C8 Cl2 O8 Re2
• SMILES: [Re]1([Cl][Re]([Cl]1)(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• 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: 9.7417 ± 0.0014 Å
• b: 11.5947 ± 0.0017 Å
• c: 12.8756 ± 0.0019 Å
• α: 90°
• β: 108.802 ± 0.002°
• γ: 90°
• Cell volume: 1376.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0556
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No