Information card for entry 4345569

Structure parameters

• Formula: C28 H34 Cl N4 O3.11 Re
• Calculated formula: C28 H34 Cl N4 O3.1111 Re
• Title of publication: Rhenium Complexes Based on 2-Pyridyl-1,2,3-triazole Ligands: A New Class of CO2 Reduction Catalysts.
• Authors of publication: Ching, H. Y. Vincent; Wang, Xia; He, Menglan; Perujo Holland, Noemi; Guillot, Régis; Slim, Cyrine; Griveau, Sophie; Bertrand, Hélène C; Policar, Clotilde; Bedioui, Fethi; Fontecave, Marc
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 5
• Pages of publication: 2966 - 2976
• a: 32.2022 ± 0.0011 Å
• b: 32.2022 ± 0.0011 Å
• c: 14.1798 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12734.2 ± 0.8 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No