Information card for entry 4343525

Structure parameters

• Formula: C47 H41 Cl F6 Ir N6 O7 P
• Calculated formula: C47 H41 Cl F6 Ir N6 O7 P
• Title of publication: Cyclometalated Iridium(III) Imidazole Phenanthroline Complexes as Luminescent and Electrochemiluminescent G-Quadruplex DNA Binders.
• Authors of publication: Castor, Katherine J.; Metera, Kimberly L.; Tefashe, Ushula M.; Serpell, Christopher J.; Mauzeroll, Janine; Sleiman, Hanadi F.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 14
• Pages of publication: 6958 - 6967
• a: 13.16 ± 0.002 Å
• b: 18.199 ± 0.003 Å
• c: 21.573 ± 0.003 Å
• α: 67.005 ± 0.002°
• β: 76.589 ± 0.002°
• γ: 74.541 ± 0.002°
• Cell volume: 4536.3 ± 1.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1385
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections: 0.2323
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.2323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No