Information card for entry 1516978

Structure parameters

• Formula: C38 H28 Au F3 N4 O6 P Re S
• Calculated formula: C38 H28 Au F3 N4 O6 P Re S
• SMILES: [Au](C#Cc1c[n](cn1C)[Re]1(C#[O])(C#[O])(C#[O])[n]2ccccc2c2[n]1cccc2)[P](c1ccccc1)(c1ccccc1)c1ccccc1.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: 8.9054 ± 0.0004 Å
• b: 9.077 ± 0.0005 Å
• c: 22.963 ± 0.0008 Å
• α: 84.156 ± 0.004°
• β: 88.572 ± 0.003°
• γ: 88.527 ± 0.004°
• Cell volume: 1845.48 ± 0.15 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: 0.0995
• Residual factor for significantly intense reflections: 0.0873
• Weighted residual factors for significantly intense reflections: 0.2213
• Weighted residual factors for all reflections included in the refinement: 0.228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No