Information card for entry 7039128

Structure parameters

• Formula: C25 H20 Cl4 N3 O3 Re
• Calculated formula: C25 H20 Cl4 N3 O3 Re
• SMILES: [Re]1(Cl)([n]2c(C(=[N]1c1ccccc1)C)cccc2/C(=N/c1ccccc1)C)(C#[O])(C#[O])C#[O].ClC(Cl)Cl
• Title of publication: Capturing Re(i) in an neutral N,N,N pincer Scaffold and resulting enhanced absorption of visible light.
• Authors of publication: Bulsink, Philip; Al-Ghamdi, Ahlam; Joshi, Prajesh; Korobkov, Ilia; Woo, Tom; Richeson, Darrin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 21
• Pages of publication: 8885 - 8896
• a: 8.5868 ± 0.0002 Å
• b: 10.8679 ± 0.0002 Å
• c: 15.2298 ± 0.0004 Å
• α: 83.209 ± 0.001°
• β: 75.04 ± 0.001°
• γ: 88.326 ± 0.001°
• Cell volume: 1363.45 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No