Information card for entry 7047750

Structure parameters

• Formula: C58 H70 F6 Ir N6 P
• Calculated formula: C58 H70 F6 Ir N6 P
• Title of publication: Alkyl chain-modified cyclometalated iridium complexes as tunable anticancer and imaging agents.
• Authors of publication: Laha, Paltan; De, Umasankar; Chandra, Falguni; Dehury, Niranjan; Khullar, Sadhika; Kim, Hyung Sik; Patra, Srikanta
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 44
• Pages of publication: 15873 - 15881
• a: 17.724 ± 0.002 Å
• b: 23.066 ± 0.002 Å
• c: 15.945 ± 0.003 Å
• α: 90°
• β: 113.863 ± 0.003°
• γ: 90°
• Cell volume: 5961.4 ± 1.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0505
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No