Information card for entry 4328506

Structure parameters

• Chemical name: hexacarbonylbis(μ-benzenethiolato)(μ-pyridazine-κN1:κN2)dirhenium dichloromethane solvate
• Formula: C23 H16 Cl2 N2 O6 Re2 S2
• Calculated formula: C23 H16 Cl2 N2 O6 Re2 S2
• SMILES: [Re]12(C#[O])(C#[O])(C#[O])[n]3cccc[n]3[Re](C#[O])(C#[O])(C#[O])([S]1c1ccccc1)[S]2c1ccccc1.C(Cl)Cl
• 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: 18.041 ± 0.002 Å
• b: 14.442 ± 0.002 Å
• c: 20.886 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5441.8 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No