Information card for entry 4118870

Structure parameters

• Formula: C17 H17 F3 N2 O9 P Re S
• Calculated formula: C17 H17 F3 N2 O9 P Re S
• SMILES: C(#[O])[Re]1(C#[O])(C#[O])([n]2ccccc2c2cccc[n]12)[P](CO)(CO)CO.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: A Luminescent and Biocompatible PhotoCORM
• Authors of publication: Agustin E. Pierri; Alessia Pallaoro; Guang Wu; Peter C. Ford
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 18197 - 18200
• a: 12.7662 ± 0.0008 Å
• b: 12.1448 ± 0.0008 Å
• c: 14.8497 ± 0.001 Å
• α: 90°
• β: 94.305 ± 0.001°
• γ: 90°
• Cell volume: 2295.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0212
• Residual factor for significantly intense reflections: 0.016
• Weighted residual factors for significantly intense reflections: 0.029
• Weighted residual factors for all reflections included in the refinement: 0.0296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.56
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No