Information card for entry 4345246

Structure parameters

• Formula: C18 H11 F3 N3 O7 Re S
• Calculated formula: C18 H11 F3 N3 O7 Re S
• SMILES: [Re]1([n]2c3c4[n]1cccc4ccc3ccc2)([N]#CC)(C#[O])(C#[O])C#[O].S(=O)(=O)([O-])C(F)(F)F.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: 20.2923 ± 0.0014 Å
• b: 17.2933 ± 0.0012 Å
• c: 14.6464 ± 0.001 Å
• α: 90°
• β: 107.58 ± 0.001°
• γ: 90°
• Cell volume: 4899.7 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No