Information card for entry 4064394

Structure parameters

• Formula: C40 H16 Cl12 F6 N6 P Re
• Calculated formula: C40 H16 Cl12 F6 N6 P Re
• SMILES: [Re]1([n]2cccc3ccc4ccc[n]1c4c23)(C#[N]c1c(Cl)cc(Cl)cc1Cl)(C#[N]c1c(Cl)cc(Cl)cc1Cl)(C#[N]c1c(Cl)cc(Cl)cc1Cl)C#[N]c1c(Cl)cc(Cl)cc1Cl.[P](F)(F)(F)(F)(F)[F-]
• 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: 14.2773 ± 0.0002 Å
• b: 17.1955 ± 0.0002 Å
• c: 18.9925 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4662.76 ± 0.11 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No