Information card for entry 4345248

Structure parameters

• Formula: C20 H14 F3 N4 O6 Re S
• Calculated formula: C20 H14 F3 N4 O6 Re S
• SMILES: [Re]1([n]2cn(C)cc2)([n]2c3c4[n]1cccc4ccc3ccc2)(C#[O])(C#[O])C#[O].S(=O)(=O)([O-])C(F)(F)F
• 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: 10.6208 ± 0.0019 Å
• b: 13.166 ± 0.003 Å
• c: 16.427 ± 0.002 Å
• α: 75.616 ± 0.013°
• β: 86.112 ± 0.013°
• γ: 89.034 ± 0.014°
• Cell volume: 2219.9 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 0.66
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No