Information card for entry 7108968

Structure parameters

• Formula: C32 H46 N5 O3 Re
• Calculated formula: C32 H46 N5 O3 Re
• SMILES: [Re]1([n]2cccc3ccc4ccc[n]1c4c23)(C#N)(C#N)(C#[O])C#[O].O.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: A new class of highly solvatochromic dicyano rhenate(I) diimine complexes ‒ synthesis, photophysics and photocatalysis
• Authors of publication: Larry Tso-Lun Lo; Sze-Wing Lai; Shek-Man Yiu; Chi-Chiu Ko
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 2311
• a: 9.9402 ± 0.0002 Å
• b: 15.3605 ± 0.0002 Å
• c: 21.5569 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3291.45 ± 0.09 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• 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: 0.0299
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No