Information card for entry 4328507

Structure parameters

• Chemical name: hexacarbonylbis(μ-pentafluorophenolato)(μ-pyridazine-κN1:κN2)dirhenium
• Formula: C22 H4 F10 N2 O8 Re2
• Calculated formula: C22 H4 F10 N2 O8 Re2
• SMILES: C(#[O])[Re]12(C#[O])(C#[O])[O](c3c(c(c(c(F)c3F)F)F)F)[Re](C#[O])(C#[O])(C#[O])([n]3[n]1cccc3)[O]2c1c(c(c(F)c(F)c1F)F)F
• Title of publication: Electrochemical, Computational, and Photophysical Characterization of New Luminescent Dirhenium-Pyridazine Complexes Containing Bridging OR or SR Anions
• Authors of publication: Alessio Raimondi; Monica Panigati; Daniela Maggioni; Laura D'Alfonso; Pierluigi Mercandelli; Patrizia Mussini; Giuseppe D'Alfonso
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 2966 - 2975
• a: 19.395 ± 0.002 Å
• b: 25.618 ± 0.002 Å
• c: 10.262 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5098.8 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.0507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No