Information card for entry 4333131

Structure parameters

• Chemical name: hexacarbonyldi-μ-hydro(μ-phthalazine-κN2:κN3)dirhenium
• Formula: C14 H8 N2 O6 Re2
• Calculated formula: C14 H8 N2 O6 Re2
• SMILES: C(#[O])[Re]123([H][Re]3([H]1)([n]1[n]2cc2ccccc2c1)(C#[O])(C#[O])C#[O])(C#[O])C#[O]
• Title of publication: Luminescent Hydrido-Carbonyl Clusters of Rhenium Containing Bridging 1,2-Diazine Ligands
• Authors of publication: Panigati, Monica; Donghi, Daniela; D'Alfonso, Giuseppe; Mercandelli, Pierluigi; Sironi, Angelo; D'Alfonso, Laura
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10909 - 10921
• a: 15.577 ± 0.003 Å
• b: 16.197 ± 0.003 Å
• c: 12.805 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3230.7 ± 1.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c e
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections included in the refinement: 0.0497
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No