Information card for entry 4345245

Structure parameters

• Formula: C16 H8 F3 N2 O6 Re S
• Calculated formula: C16 H8 F3 N2 O6 Re S
• SMILES: [Re]1(OS(=O)(=O)C(F)(F)F)([n]2c3c4[n]1cccc4ccc3ccc2)(C#[O])(C#[O])C#[O]
• Title of publication: Luminescent Re(I) Carbonyl Complexes as Trackable PhotoCORMs for CO delivery to Cellular Targets
• Authors of publication: Chakraborty, Indranil; Jimenez, Jorge; Sameera, W. M. C.; Kato, Masako; Mascharak, Pradip K.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2017
• a: 6.6738 ± 0.0004 Å
• b: 14.0156 ± 0.0009 Å
• c: 19.3333 ± 0.0012 Å
• α: 90°
• β: 94.885 ± 0.001°
• γ: 90°
• Cell volume: 1801.82 ± 0.19 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0292
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No