Information card for entry 4068216

Structure parameters

• Formula: C32 H18 Cl2 N4 O6 Re2
• Calculated formula: C32 H18 Cl2 N4 O6 Re2
• SMILES: C(#[O])[Re]1(C#[O])([n]2c(c3ccccc3)c(c3ccccc3)[n]3c(c2c2[n]1cccc2)c1[n](cccc1)[Re]3(C#[O])(C#[O])(C#[O])Cl)(C#[O])Cl
• Title of publication: Rhenium Complexes of 2,3-Di(2-pyridyl)-5,6-diphenylpyrazine: Synthesis, Characterization, and Reactivity
• Authors of publication: Wu, Si-Hai; Abruña, Héctor D.; Zhong, Yu-Wu
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 3
• Pages of publication: 1161
• a: 6.4564 ± 0.0002 Å
• b: 31.0749 ± 0.0013 Å
• c: 17.866 ± 0.0007 Å
• α: 90°
• β: 99.667 ± 0.002°
• γ: 90°
• Cell volume: 3533.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No