Information card for entry 7120050

Structure parameters

• Formula: C22 H13 F3 N3 O7 Re S
• Calculated formula: C22 H13 F3 N3 O7 Re S
• SMILES: [Re]1([n]2c3c4[n]1cccc4ccc3ccc2)([n]1ccc(cc1)C=O)(C#[O])(C#[O])C#[O].S(=O)(=O)([O-])C(F)(F)F
• Title of publication: CO-induced Apoptotic Death of Colorectal Cancer Cells by a Luminescent PhotoCORM Grafted on Biocompatible Carboxymethyl Chitosan
• Authors of publication: Chakraborty, Indranil; Jimenez, Jorge; Mascharak, Pradip
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 12.5447 ± 0.0019 Å
• b: 12.1776 ± 0.0018 Å
• c: 15.348 ± 0.002 Å
• α: 90°
• β: 92.87 ± 0.002°
• γ: 90°
• Cell volume: 2341.7 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 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: 0.0374
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No