Information card for entry 4064393

Structure parameters

• Formula: C41 H26 Cl3 I4 N6 O4 Re
• Calculated formula: C41 H26 Cl3 I4 N6 O4 Re
• SMILES: [Re]1([n]2cccc3ccc4ccc[n]1c4c23)(C#[N]c1ccc(I)cc1)(C#[N]c1ccc(I)cc1)(C#[N]c1ccc(I)cc1)C#[N]c1ccc(I)cc1.Cl(=O)(=O)(=O)[O-].ClCCl
• Title of publication: Synthesis, Characterization, and Photophysical and Emission Solvatochromic Study of Rhenium(I) Tetra(isocyano) Diimine Complexes
• Authors of publication: Ko, Chi-Chiu; Siu, Jacky Wai-Kit; Cheung, Apple Wai-Yi; Yiu, Shek-Man
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 10
• Pages of publication: 2701
• a: 16.1495 ± 0.0004 Å
• b: 17.5519 ± 0.0003 Å
• c: 17.2286 ± 0.0003 Å
• α: 90°
• β: 113.067 ± 0.002°
• γ: 90°
• Cell volume: 4493.07 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No