Information card for entry 4334209

Structure parameters

• Formula: C25 H21 F3 N3 O10 Re S
• Calculated formula: C25 H21 F3 N3 O10 Re S
• SMILES: [Re]1([n]2ccc(cc2c2[n]1ccc(c2)C(=O)OCC)C(=O)OCC)([n]1ccccc1)(C#[O])(C#[O])C#[O].C(F)(F)(F)S(=O)(=O)[O-]
• 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: 10.71 ± 0.002 Å
• b: 15.457 ± 0.002 Å
• c: 18.15 ± 0.003 Å
• α: 80.3 ± 0.011°
• β: 80.564 ± 0.012°
• γ: 79.363 ± 0.009°
• Cell volume: 2883.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0664
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No