Information card for entry 7716731

Structure parameters

• Formula: C24 H15 Cl N3 O3 Re
• Calculated formula: C24 H15 Cl N3 O3 Re
• Title of publication: Cancer phototherapy by CO releasing terpyridine-based Re(I) tricarbonyl complexes <i>via</i> ROS generation and NADH oxidation.
• Authors of publication: Kushwaha, Rajesh; Upadhyay, Aarti; Saha, Sukanta; Yadav, Ashish Kumar; Bera, Arpan; Dutta, Arnab; Banerjee, Samya
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 32
• Pages of publication: 13591 - 13601
• a: 11.5938 ± 0.0002 Å
• b: 11.5936 ± 0.0003 Å
• c: 15.8191 ± 0.0003 Å
• α: 90°
• β: 101.876 ± 0.001°
• γ: 90°
• Cell volume: 2080.79 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0193
• Residual factor for significantly intense reflections: 0.016
• Weighted residual factors for significantly intense reflections: 0.0324
• Weighted residual factors for all reflections included in the refinement: 0.0334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No