Information card for entry 1550432

Structure parameters

• Chemical name: [Pd(PNP-C1-Me)2](BF4)2
• Formula: C65.56 H77.12 B2 Cl7.12 F8 N2 O8.38 P4 Pd0.98
• Calculated formula: C65.56 H77.12 B2 Cl7.12 F8 N2 O8.38 P4 Pd0.978
• 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: 24.9341 ± 0.0005 Å
• b: 15.1575 ± 0.0003 Å
• c: 22.1525 ± 0.0004 Å
• α: 90°
• β: 114.583 ± 0.0006°
• γ: 90°
• Cell volume: 7613.4 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 9
• 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: 0.0529
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No