Information card for entry 1516976

Structure parameters

• Formula: C21 H13 F3 N3 O6 Re S
• Calculated formula: C21 H13 F3 N3 O6 Re S
• SMILES: [Re]1([n]2ccccc2c2[n]1cccc2)(C#[O])(C#[O])(C#[O])[n]1cccc(c1)C#C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Luminescent Re(i) and Re(i)/Au(i) complexes as cooperative partners in cell imaging and cancer therapy
• Authors of publication: Fernández-Moreira, Vanesa; Marzo, Isabel; Gimeno, M. Concepción
• Journal of publication: Chem. Sci.
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 11
• Pages of publication: 4434
• a: 13.1254 ± 0.0002 Å
• b: 13.0009 ± 0.0002 Å
• c: 13.7872 ± 0.0002 Å
• α: 90°
• β: 109.269 ± 0.002°
• γ: 90°
• Cell volume: 2220.88 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0158
• Residual factor for significantly intense reflections: 0.0144
• Weighted residual factors for significantly intense reflections: 0.0347
• Weighted residual factors for all reflections included in the refinement: 0.0352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No