Information card for entry 7716730

Structure parameters

• Formula: C34.33 H21.67 Cl N3 O3 Re
• Calculated formula: C32 H19 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: 7.7233 ± 0.0002 Å
• b: 13.4308 ± 0.0004 Å
• c: 14.3953 ± 0.0005 Å
• α: 89.027 ± 0.002°
• β: 82.586 ± 0.003°
• γ: 79.332 ± 0.002°
• Cell volume: 1455.11 ± 0.08 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1153
• 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