Information card for entry 4333128

Structure parameters

• Chemical name: dodecacarbonyltetra-μ-hydro(μ-pyridazine-κN1:κN2)bis(pyridazine- κN1)tetrarhenium
• Formula: C25 H18 Cl2 N6 O12 Re4
• Calculated formula: C25 H18 Cl2 N6 O12 Re4
• SMILES: [Re]12([H][Re]([H][Re]([H]1)([H][Re](C#[O])(C#[O])(C#[O])([n]1ncccc1)[n]1ncccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])[n]1[n]2cccc1)(C#[O])(C#[O])C#[O].C(Cl)Cl
• 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: 10.244 ± 0.003 Å
• b: 35.857 ± 0.009 Å
• c: 10.438 ± 0.003 Å
• α: 90°
• β: 110.29 ± 0.02°
• γ: 90°
• Cell volume: 3596.2 ± 1.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.0327
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No