Information card for entry 7244388

Structure parameters

• Formula: C34 H20 Br0.8 Cl0.2 N4 O7 Re
• Calculated formula: C34 H20 Br0.796 Cl0.204 N4 O7 Re
• Title of publication: Photocatalytic turnover of CO2 under visible light by [Re(CO)3(1-(1,10) phenanthroline-5-(4-nitro-naphthalimide))Cl] in tandem with the sacrificial donor BIH
• Authors of publication: Spear, Alyssa; Schuarca, Robson L.; Bond, Jesse Q.; Korter, Timothy M.; Zubieta, Jon; Doyle, Robert P.
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 9
• Pages of publication: 5080 - 5084
• a: 8.4778 ± 0.0002 Å
• b: 13.3551 ± 0.0002 Å
• c: 13.9955 ± 0.0003 Å
• α: 107.983 ± 0.002°
• β: 95.125 ± 0.002°
• γ: 96.949 ± 0.001°
• Cell volume: 1482.59 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No