Information card for entry 4318669

Structure parameters

• Formula: C18 H36 Cl6 F3 N O2 Re2
• Calculated formula: C18 H36 Cl6 F3 N O2 Re2
• SMILES: [Re]1([Re](Cl)(Cl)(Cl)[O]=C(O1)C(F)(F)F)(Cl)(Cl)Cl.[N+](CCCC)(CCCC)(CCCC)CCCC
• 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: 12.3006 ± 0.0007 Å
• b: 15.1612 ± 0.0008 Å
• c: 16.4469 ± 0.0009 Å
• α: 90°
• β: 95.296 ± 0.001°
• γ: 90°
• Cell volume: 3054.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0528
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No