Information card for entry 2007265

Structure parameters

• Chemical name: (μ-dicyclohexylphosphido)(μ-trifluormethyl-mercury)-octacarbonyl-dirhenium
• Formula: C21 H22 F3 Hg O8 P Re2
• Calculated formula: C21 H22 F3 Hg O8 P Re2
• SMILES: C(#[O])[Re]1(C#[O])(C#[O])(C#[O])[P](C2CCCCC2)(C2CCCCC2)[Re]([Hg]1C(F)(F)F)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Octacarbonyl(μ-dicyclohexylphosphanido)(μ-trifluoromethylmercury)dirhenium
• Authors of publication: Flörke, Ulrich; Haupt, Hans-Jürgen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 5
• Pages of publication: IUC9800015
• a: 14.247 ± 0.002 Å
• b: 11.371 ± 0.002 Å
• c: 16.727 ± 0.003 Å
• α: 90°
• β: 90.33 ± 0.01°
• γ: 90°
• Cell volume: 2709.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for all reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.074
• Goodness-of-fit parameter for all reflections: 0.99
• Goodness-of-fit parameter for significantly intense reflections: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes