Information card for entry 4326952

Structure parameters

• Formula: C66 H43 N8 O4 Pd Re S
• Calculated formula: C66 H43 N8 O4 Pd Re S
• Title of publication: Photochemistry and Photophysics of a Pd(II) Metalloporphyrin: Re(I) Tricarbonyl Bipyridine Molecular Dyad and its Activity Toward the Photoreduction of CO2 to CO
• Authors of publication: Jacob Schneider; Khuong Q. Vuong; James A. Calladine; Xue-Zhong Sun; Adrian C. Whitwood; Michael W. George; Robin N. Perutz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 11877 - 11889
• a: 9.401 ± 0.002 Å
• b: 12.936 ± 0.003 Å
• c: 23.41 ± 0.005 Å
• α: 91.932 ± 0.002°
• β: 94.16 ± 0.002°
• γ: 105.874 ± 0.003°
• Cell volume: 2726.9 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0734
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No