Information card for entry 4325482

Structure parameters

• Formula: C38 H26 Cl8 N6 O6 Re2
• Calculated formula: C38 H26 Cl8 N6 O6 Re2
• SMILES: [Re]1(Cl)([n]2c3cc(c(cc3nc3c4nc5cc(c(cc5[n]5[Re](Cl)([n]6c7c([n]1c(c23)c6c45)cc(c(c7)C)C)(C#[O])(C#[O])C#[O])C)C)C)C)(C#[O])(C#[O])C#[O].ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Complete Family of Mono-, Bi-, and Trinuclear ReI(CO)3Cl Complexes of the Bridging Polypyridyl Ligand 2,3,8,9,14,15-Hexamethyl-5,6,11,12,17,18-hexaazatrinapthalene: Syn/Anti Isomer Separation, Characterization, and Photophysics
• Authors of publication: Michael G. Fraser; Charlotte A. Clark; Raphael Horvath; Samuel J. Lind; Allan G. Blackman; Xue-Zhong Sun; Michael W. George; Keith C. Gordon
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 6093 - 6106
• a: 14.274 ± 0.006 Å
• b: 17.815 ± 0.006 Å
• c: 18.039 ± 0.007 Å
• α: 90°
• β: 108.732 ± 0.017°
• γ: 90°
• Cell volume: 4344 ± 3 ų
• Cell temperature: 89 ± 2 K
• Ambient diffraction temperature: 89 ± 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: 0.0271
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No