Information card for entry 1516977

Structure parameters

• Formula: C41 H33 Au F6 N3 O4 P2 Re
• Calculated formula: C41 H33 Au F6 N3 O4 P2 Re
• SMILES: [Re]1(C#[O])(C#[O])(C#[O])([n]2ccccc2c2[n]1cccc2)[n]1ccccc1C#C[Au][P](c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].CC(=O)C
• 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: 9.4683 ± 0.0001 Å
• b: 16.4296 ± 0.0002 Å
• c: 26.0868 ± 0.0003 Å
• α: 92.497 ± 0.001°
• β: 92.66 ± 0.001°
• γ: 91.206 ± 0.001°
• Cell volume: 4048.77 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No