Information card for entry 4128107

Structure parameters

• Formula: C44 H28 N6 O4 Ru
• Calculated formula: C44 H28 N6 O4 Ru
• SMILES: [Ru]1234([n]5c(cc(c6ccc(C(=O)[O-])cc6)cc5c5[n]2cccc5)c2[n]1cccc2)[n]1c(cc(cc1c1[n]3cccc1)c1ccc(cc1)C(=O)[O-])c1[n]4cccc1
• Title of publication: Metal-Organic Framework Photocatalyst Incorporating Bis(4'-(4-carboxyphenyl)-terpyridine)ruthenium(II) for Visible-Light-Driven Carbon Dioxide Reduction.
• Authors of publication: Elcheikh Mahmoud, Mahmoud; Audi, Hassib; Assoud, Abdeljalil; Ghaddar, Tarek H.; Hmadeh, Mohamad
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 17
• Pages of publication: 7115 - 7121
• a: 9.0259 ± 0.0004 Å
• b: 13.1063 ± 0.0005 Å
• c: 17.2862 ± 0.0006 Å
• α: 78.761 ± 0.003°
• β: 76.926 ± 0.003°
• γ: 89.888 ± 0.004°
• Cell volume: 1951.79 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1382
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No