Information card for entry 1516979

Structure parameters

• Formula: C37 H31 Au F3 N4 O6.5 P Re S
• Calculated formula: C37 H31 Au F3 N4 O6.5 P Re S
• SMILES: [Au]([n]1ccn([Re]2(C#[O])(C#[O])(C#[O])[n]3ccccc3c3[n]2cccc3)c1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F.O(CC)CC
• 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: 13.0494 ± 0.0002 Å
• b: 13.4519 ± 0.0002 Å
• c: 22.5256 ± 0.0004 Å
• α: 95.947 ± 0.001°
• β: 99.847 ± 0.001°
• γ: 102.157 ± 0.001°
• Cell volume: 3768.28 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No