Information card for entry 1550433

Structure parameters

• Chemical name: [PdCl(PNP-C2-Me)](PF6)
• Formula: C35 H30 Cl3 F6 N O4.4 P3 Pd
• Calculated formula: C35 H30 Cl3 F6 N O4.4 P3 Pd
• Title of publication: Performance of enhanced DuBois type water reduction catalysts (WRC) in artificial photosynthesis - effects of various proton relays during catalysis.
• Authors of publication: Viertl, Wolfgang; Pann, Johann; Pehn, Richard; Roithmeyer, Helena; Bendig, Marvin; Rodríguez-Villalón, Alba; Bereiter, Raphael; Heiderscheid, Max; Müller, Thomas; Zhao, Xia; Hofer, Thomas S.; Thompson, Mark E.; Shi, Shuyang; Brueggeller, Peter
• Journal of publication: Faraday discussions
• Year of publication: 2019
• Journal volume: 215
• Journal issue: 0
• Pages of publication: 141 - 161
• a: 12.3522 ± 0.0003 Å
• b: 26.1118 ± 0.0006 Å
• c: 13.6448 ± 0.0003 Å
• α: 90°
• β: 113.138 ± 0.001°
• γ: 90°
• Cell volume: 4046.96 ± 0.16 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No