Information card for entry 4334208

Structure parameters

• Formula: C69 H59 F3 N7 O6 Re S Zn
• Calculated formula: C69 H59 F3 N7 O6 Re S Zn
• Title of publication: Improving the Efficiency of the Photoinduced Charge-Separation Process in a Rhenium(I)-Zinc Porphyrin Dyad by Simple Chemical Functionalization
• Authors of publication: Teresa Gatti; Paolo Cavigli; Ennio Zangrando; Elisabetta Iengo; Claudio Chiorboli; Maria Teresa Indelli
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 3190 - 3197
• a: 8.726 ± 0.0008 Å
• b: 9.837 ± 0.0009 Å
• c: 40.956 ± 0.003 Å
• α: 84.227 ± 0.01°
• β: 84.429 ± 0.011°
• γ: 72.995 ± 0.007°
• Cell volume: 3336.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1114
• Residual factor for significantly intense reflections: 0.0925
• Weighted residual factors for significantly intense reflections: 0.2276
• Weighted residual factors for all reflections included in the refinement: 0.2337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 1 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No