Information card for entry 7048179

Structure parameters

• Formula: C16 H17 Cl N5 O4 Re
• Calculated formula: C16 H17 Cl N5 O4 Re
• Title of publication: A 2,2'-bipyridine-containing covalent organic framework bearing rhenium(i) tricarbonyl moieties for CO₂ reduction.
• Authors of publication: Popov, Damir A.; Luna, John M.; Orchanian, Nicholas M.; Haiges, Ralf; Downes, Courtney A.; Marinescu, Smaranda C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 48
• Pages of publication: 17450 - 17460
• a: 26.2689 ± 0.0018 Å
• b: 8.542 ± 0.0006 Å
• c: 17.5006 ± 0.0012 Å
• α: 90°
• β: 98.227 ± 0.001°
• γ: 90°
• Cell volume: 3886.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0163
• Residual factor for significantly intense reflections: 0.0136
• Weighted residual factors for significantly intense reflections: 0.0308
• Weighted residual factors for all reflections included in the refinement: 0.0317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No