Information card for entry 7127776

Structure parameters

• Formula: C26 H22 F10 Ir N7 P2
• Calculated formula: C26 H22 F10 Ir N7 P
• SMILES: c1(cc(c2c(c1)[Ir]13(c4cc(cc(c4c4cccc[n]14)F)F)([n]1c2cccc1)[NH]=C(N=C(N)N3)N(C)C)F)F.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: The design of cyclometalated iridium(iii)-metformin complexes for hypoxic cancer treatment.
• Authors of publication: Yang, Jing; Fang, Hao-Ji; Cao, Qian; Mao, Zong-Wan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 9
• Pages of publication: 1093 - 1096
• a: 42.2108 ± 0.0009 Å
• b: 42.2108 ± 0.0009 Å
• c: 9.038 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13946 ± 0.6 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No