Information card for entry 7045832

Structure parameters

• Formula: C101 H78 Cl10 Ir2 N22 O6
• Calculated formula: C101 H78 Cl10 Ir2 N22 O6
• Title of publication: Mitochondria-localising DNA-binding biscyclometalated phenyltriazole iridium(iii) dipyridophenazene complexes: syntheses and cellular imaging properties.
• Authors of publication: Sreedharan, Sreejesh; Sinopoli, Alessandro; Jarman, Paul J.; Robinson, Darren; Clemmet, Christopher; Scattergood, Paul A.; Rice, Craig R.; Smythe, Carl G. W.; Thomas, James A.; Elliott, Paul I. P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 14
• Pages of publication: 4931 - 4940
• a: 13.6282 ± 0.0008 Å
• b: 16.6165 ± 0.0011 Å
• c: 22.7142 ± 0.0014 Å
• α: 90°
• β: 103.912 ± 0.002°
• γ: 90°
• Cell volume: 4992.8 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1201
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No